CID 37798

37637-72-2

Structural Information

Molecular Formula
C13H30N2O2
SMILES
CC[N+](C)(CC)CCC(=O)OCC[N+](C)(C)C
InChI
InChI=1S/C13H30N2O2/c1-7-15(6,8-2)10-9-13(16)17-12-11-14(3,4)5/h7-12H2,1-6H3/q+2
InChIKey
BQDFOGOQSTXNIE-UHFFFAOYSA-N
Compound name
diethyl-methyl-[3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.23073 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.23801 155.6
[M+Na]+ 269.21995 160.1
[M-H]- 245.22345 158.6
[M+NH4]+ 264.26455 173.9
[M+K]+ 285.19389 150.2
[M+H-H2O]+ 229.22799 155.9
[M+HCOO]- 291.22893 177.7
[M+CH3COO]- 305.24458 194.4
[M+Na-2H]- 267.20540 166.2
[M]+ 246.23018 158.5
[M]- 246.23128 158.5
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.