CID 13837

Chlormequat

Structural Information

Molecular Formula
C5H13ClN
SMILES
C[N+](C)(C)CCCl
InChI
InChI=1S/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1
InChIKey
JUZXDNPBRPUIOR-UHFFFAOYSA-N
Compound name
2-chloroethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

153
References

56803
Patents

122.073654 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.08093 120.5
[M+Na]+ 145.06287 128.8
[M-H]- 121.06638 122.7
[M+NH4]+ 140.10748 144.5
[M+K]+ 161.03681 122.6
[M+H-H2O]+ 105.07091 120.5
[M+HCOO]- 167.07186 140.6
[M+CH3COO]- 181.08750 169.6
[M+Na-2H]- 143.04832 131.4
[M]+ 122.07311 122.1
[M]- 122.07420 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe