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
7
Annotation Hits

153
References

57678
Patents

122.073654 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.080930 120.5
[M+Na]+ 145.062872 128.8
[M-H]- 121.066378 122.7
[M+NH4]+ 140.107477 144.5
[M+K]+ 161.036812 122.6
[M+H-H2O]+ 105.070914 120.5
[M+HCOO]- 167.071855 140.6
[M+CH3COO]- 181.087505 169.6
[M+Na-2H]- 143.048320 131.4
[M]+ 122.07310542 122.1
[M]- 122.07420258 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