CID 38383

40066-93-1

Structural Information

Molecular Formula
C8H17ClNO2
SMILES
CC(=O)OCC[N+](C)(C)CCCl
InChI
InChI=1S/C8H17ClNO2/c1-8(11)12-7-6-10(2,3)5-4-9/h4-7H2,1-3H3/q+1
InChIKey
NEOCBSWRESHSMN-UHFFFAOYSA-N
Compound name
2-acetyloxyethyl-(2-chloroethyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.09479 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10207 139.7
[M+Na]+ 217.08401 146.9
[M-H]- 193.08751 141.5
[M+NH4]+ 212.12861 160.7
[M+K]+ 233.05795 140.4
[M+H-H2O]+ 177.09205 138.9
[M+HCOO]- 239.09299 158.7
[M+CH3COO]- 253.10864 181.3
[M+Na-2H]- 215.06946 148.0
[M]+ 194.09424 143.9
[M]- 194.09534 143.9
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.