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
2
Annotation Hits

0
References

15
Patents

152.08421 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.091486 128.5
[M+Na]+ 175.073428 135.8
[M-H]- 151.076934 129.2
[M+NH4]+ 170.118033 150.5
[M+K]+ 191.047368 129.1
[M+H-H2O]+ 135.081470 128.5
[M+HCOO]- 197.082411 146.2
[M+CH3COO]- 211.098061 172.3
[M+Na-2H]- 173.058876 137.3
[M]+ 152.08366142 129.4
[M]- 152.08475858 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