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]+ 249.159756 160.7
[M+Na]+ 271.141698 163.7
[M-H]- 247.145204 163.6
[M+NH4]+ 266.186303 170.6
[M+K]+ 287.115638 163.9
[M+H-H2O]+ 231.149740 147.8
[M+HCOO]- 293.150681 179.5
[M+CH3COO]- 307.166331 194.7
[M+Na-2H]- 269.127146 165.2
[M]+ 248.15193142 167.5
[M]- 248.15302858 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.