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

57539
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.