CID 4935494

Tert-butyl n-(2-methoxyphenyl)carbamate

Structural Information

Molecular Formula
C12H17NO3
SMILES
CC(C)(C)OC(=O)NC1=CC=CC=C1OC
InChI
InChI=1S/C12H17NO3/c1-12(2,3)16-11(14)13-9-7-5-6-8-10(9)15-4/h5-8H,1-4H3,(H,13,14)
InChIKey
DHSWMVURURVRDB-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

223.12085 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.12813 150.4
[M+Na]+ 246.11007 157.2
[M-H]- 222.11357 154.3
[M+NH4]+ 241.15467 168.8
[M+K]+ 262.08401 156.5
[M+H-H2O]+ 206.11811 144.4
[M+HCOO]- 268.11905 173.4
[M+CH3COO]- 282.13470 190.8
[M+Na-2H]- 244.09552 156.2
[M]+ 223.12030 153.3
[M]- 223.12140 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe