CID 18733

3327-22-8

Structural Information

Molecular Formula
C6H15ClNO
SMILES
C[N+](C)(C)CC(CCl)O
InChI
InChI=1S/C6H15ClNO/c1-8(2,3)5-6(9)4-7/h6,9H,4-5H2,1-3H3/q+1
InChIKey
XIUCEANTZSXBQQ-UHFFFAOYSA-N
Compound name
(3-chloro-2-hydroxypropyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

27
References

9178
Patents

152.08421 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.09149 128.5
[M+Na]+ 175.07343 135.8
[M-H]- 151.07693 129.2
[M+NH4]+ 170.11803 150.5
[M+K]+ 191.04737 129.1
[M+H-H2O]+ 135.08147 128.5
[M+HCOO]- 197.08241 146.2
[M+CH3COO]- 211.09806 172.3
[M+Na-2H]- 173.05888 137.3
[M]+ 152.08366 129.4
[M]- 152.08476 129.4
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.