CID 46940

Hl-8710

Structural Information

Molecular Formula
C17H40N2O
SMILES
CC[N+](CC)(CC)CCOC(C)C[N+](CC)(CC)CC
InChI
InChI=1S/C17H40N2O/c1-8-18(9-2,10-3)14-15-20-17(7)16-19(11-4,12-5)13-6/h17H,8-16H2,1-7H3/q+2
InChIKey
MMNCJSLNNOHHNN-UHFFFAOYSA-N
Compound name
triethyl-[2-[2-(triethylazaniumyl)ethoxy]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.31406 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.32134 172.4
[M+Na]+ 311.30328 175.0
[M-H]- 287.30678 174.6
[M+NH4]+ 306.34788 219.8
[M+K]+ 327.27722 164.3
[M+H-H2O]+ 271.31132 172.0
[M+HCOO]- 333.31226 192.8
[M+CH3COO]- 347.32791 206.5
[M+Na-2H]- 309.28873 180.7
[M]+ 288.31351 176.3
[M]- 288.31461 176.3
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.