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

8
Patents

241.08696 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09424 153.9
[M+Na]+ 264.07618 161.6
[M-H]- 240.07968 157.6
[M+NH4]+ 259.12078 172.5
[M+K]+ 280.05012 158.2
[M+H-H2O]+ 224.08422 148.9
[M+HCOO]- 286.08516 172.1
[M+CH3COO]- 300.10081 192.5
[M+Na-2H]- 262.06163 159.1
[M]+ 241.08641 157.4
[M]- 241.08751 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