CID 56607

93282-45-2

Structural Information

Molecular Formula
C9H17N2O2
SMILES
CC(=O)OCC[N+](C)(C)CCC#N
InChI
InChI=1S/C9H17N2O2/c1-9(12)13-8-7-11(2,3)6-4-5-10/h4,6-8H2,1-3H3/q+1
InChIKey
DCFJJUBODSPOTC-UHFFFAOYSA-N
Compound name
2-acetyloxyethyl-(2-cyanoethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.129 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.13628 141.1
[M+Na]+ 208.11822 148.9
[M-H]- 184.12172 143.3
[M+NH4]+ 203.16282 159.5
[M+K]+ 224.09216 144.7
[M+H-H2O]+ 168.12626 132.2
[M+HCOO]- 230.12720 160.8
[M+CH3COO]- 244.14285 193.9
[M+Na-2H]- 206.10367 148.7
[M]+ 185.12845 138.6
[M]- 185.12955 138.6
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.