CID 4323056

(2-chloro-2-oxoethyl)-trimethylazanium

Structural Information

Molecular Formula
C5H11ClNO
SMILES
C[N+](C)(C)CC(=O)Cl
InChI
InChI=1S/C5H11ClNO/c1-7(2,3)4-5(6)8/h4H2,1-3H3/q+1
InChIKey
ZSAIZAOUUYCITK-UHFFFAOYSA-N
Compound name
(2-chloro-2-oxoethyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

136.05292 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.06020 121.8
[M+Na]+ 159.04214 130.2
[M-H]- 135.04564 124.1
[M+NH4]+ 154.08674 145.1
[M+K]+ 175.01608 124.1
[M+H-H2O]+ 119.05018 121.8
[M+HCOO]- 181.05112 141.5
[M+CH3COO]- 195.06677 171.0
[M+Na-2H]- 157.02759 131.6
[M]+ 136.05237 123.5
[M]- 136.05347 123.5
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

patents stripe