CID 115436

As-8772

Structural Information

Molecular Formula
C13H32N2O
SMILES
CC[N+](C)(CC)CCOC(C)C[N+](C)(C)C
InChI
InChI=1S/C13H32N2O/c1-8-15(7,9-2)10-11-16-13(3)12-14(4,5)6/h13H,8-12H2,1-7H3/q+2
InChIKey
XMLZXAURVWRAAM-UHFFFAOYSA-N
Compound name
diethyl-methyl-[2-[1-(trimethylazaniumyl)propan-2-yloxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.25146 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.258736 153.3
[M+Na]+ 255.240678 157.5
[M-H]- 231.244184 156.3
[M+NH4]+ 250.285283 172.3
[M+K]+ 271.214618 147.8
[M+H-H2O]+ 215.248720 153.7
[M+HCOO]- 277.249661 175.0
[M+CH3COO]- 291.265311 194.6
[M+Na-2H]- 253.226126 163.7
[M]+ 232.25091142 155.7
[M]- 232.25200858 155.7
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.