CID 11287472

Tert-butyl n-(2-formylphenyl)carbamate

Structural Information

Molecular Formula
C12H15NO3
SMILES
CC(C)(C)OC(=O)NC1=CC=CC=C1C=O
InChI
InChI=1S/C12H15NO3/c1-12(2,3)16-11(15)13-10-7-5-4-6-9(10)8-14/h4-8H,1-3H3,(H,13,15)
InChIKey
DHALMIBUKCNMLD-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-formylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

221.1052 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 149.0
[M+Na]+ 244.09442 156.0
[M-H]- 220.09792 152.9
[M+NH4]+ 239.13902 167.4
[M+K]+ 260.06836 154.7
[M+H-H2O]+ 204.10246 143.1
[M+HCOO]- 266.10340 172.2
[M+CH3COO]- 280.11905 189.9
[M+Na-2H]- 242.07987 154.8
[M]+ 221.10465 151.2
[M]- 221.10575 151.2
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