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]+ 186.136276 141.1
[M+Na]+ 208.118218 148.9
[M-H]- 184.121724 143.3
[M+NH4]+ 203.162823 159.5
[M+K]+ 224.092158 144.7
[M+H-H2O]+ 168.126260 132.2
[M+HCOO]- 230.127201 160.8
[M+CH3COO]- 244.142851 193.9
[M+Na-2H]- 206.103666 148.7
[M]+ 185.12845142 138.6
[M]- 185.12954858 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.