CID 56933

95521-16-7

Structural Information

Molecular Formula
C31H68N2O4Si2
SMILES
CC[Si](CC)(CC)C[N+](C)(C)CCOC(=O)CCCCCCCC(=O)OCC[N+](C)(C)C[Si](CC)(CC)CC
InChI
InChI=1S/C31H68N2O4Si2/c1-11-38(12-2,13-3)28-32(7,8)24-26-36-30(34)22-20-18-17-19-21-23-31(35)37-27-25-33(9,10)29-39(14-4,15-5)16-6/h11-29H2,1-10H3/q+2
InChIKey
DTRBOJRXLBABEI-UHFFFAOYSA-N
Compound name
2-[9-[2-[dimethyl(triethylsilylmethyl)azaniumyl]ethoxy]-9-oxononanoyl]oxyethyl-dimethyl-(triethylsilylmethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.47174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.47902 265.7
[M+Na]+ 611.46096 272.0
[M-H]- 587.46446 267.0
[M+NH4]+ 606.50556 274.5
[M+K]+ 627.43490 272.2
[M+H-H2O]+ 571.46900 250.9
[M+HCOO]- 633.46994 281.3
[M+CH3COO]- 647.48559 255.2
[M+Na-2H]- 609.44641 251.6
[M]+ 588.47119 266.1
[M]- 588.47229 266.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.