CID 18733

82914-58-7

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

9231
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

literature stripe

Patent stripe

patents stripe