CID 117179

(2-chloro-3-hydroxypropyl)trimethylammonium chloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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

patents stripe