CID 21702025

Tert-butyl n-[3-(chloromethyl)phenyl]carbamate

Structural Information

Molecular Formula
C12H16ClNO2
SMILES
CC(C)(C)OC(=O)NC1=CC=CC(=C1)CCl
InChI
InChI=1S/C12H16ClNO2/c1-12(2,3)16-11(15)14-10-6-4-5-9(7-10)8-13/h4-7H,8H2,1-3H3,(H,14,15)
InChIKey
RAHGJAIFYCYZQQ-UHFFFAOYSA-N
Compound name
tert-butyl N-[3-(chloromethyl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

241.08696 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.094236 153.9
[M+Na]+ 264.076178 161.6
[M-H]- 240.079684 157.6
[M+NH4]+ 259.120783 172.5
[M+K]+ 280.050118 158.2
[M+H-H2O]+ 224.084220 148.9
[M+HCOO]- 286.085161 172.1
[M+CH3COO]- 300.100811 192.5
[M+Na-2H]- 262.061626 159.1
[M]+ 241.08641142 157.4
[M]- 241.08750858 157.4
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