CID 106707

67304-25-0

Structural Information

Molecular Formula
C12H19ClNO
SMILES
C[N+](C)(CC1=CC=CC=C1)CC(CCl)O
InChI
InChI=1S/C12H19ClNO/c1-14(2,10-12(15)8-13)9-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3/q+1
InChIKey
RAMIXFMCLRZLAK-UHFFFAOYSA-N
Compound name
benzyl-(3-chloro-2-hydroxypropyl)-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

171
Patents

228.11552 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12280 150.2
[M+Na]+ 251.10474 156.2
[M-H]- 227.10824 153.4
[M+NH4]+ 246.14934 168.8
[M+K]+ 267.07868 147.2
[M+H-H2O]+ 211.11278 148.0
[M+HCOO]- 273.11372 167.4
[M+CH3COO]- 287.12937 185.5
[M+Na-2H]- 249.09019 158.3
[M]+ 228.11497 151.1
[M]- 228.11607 151.1
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

patents stripe