CID 155973601

Benzyl n-[2-(3-methylazetidin-3-yl)ethyl]carbamate hydrochloride

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC1(CNC1)CCNC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H20N2O2/c1-14(10-15-11-14)7-8-16-13(17)18-9-12-5-3-2-4-6-12/h2-6,15H,7-11H2,1H3,(H,16,17)
InChIKey
YLMDWHZHLUSZQL-UHFFFAOYSA-N
Compound name
benzyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 160.7
[M+Na]+ 271.14170 163.7
[M-H]- 247.14520 163.6
[M+NH4]+ 266.18630 170.6
[M+K]+ 287.11564 163.9
[M+H-H2O]+ 231.14974 147.8
[M+HCOO]- 293.15068 179.5
[M+CH3COO]- 307.16633 194.7
[M+Na-2H]- 269.12715 165.2
[M]+ 248.15193 167.5
[M]- 248.15303 167.5
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.