CID 9859103

Tert-butyl (phenylmethylene)carbamate

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC(C)(C)OC(=O)/N=C/C1=CC=CC=C1
InChI
InChI=1S/C12H15NO2/c1-12(2,3)15-11(14)13-9-10-7-5-4-6-8-10/h4-9H,1-3H3/b13-9+
InChIKey
XFRQMBFCAKTYIV-UKTHLTGXSA-N
Compound name
tert-butyl (NE)-N-benzylidenecarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

205.11028 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 146.2
[M+Na]+ 228.09950 153.0
[M-H]- 204.10300 151.2
[M+NH4]+ 223.14410 165.8
[M+K]+ 244.07344 152.0
[M+H-H2O]+ 188.10754 140.0
[M+HCOO]- 250.10848 170.7
[M+CH3COO]- 264.12413 188.6
[M+Na-2H]- 226.08495 153.1
[M]+ 205.10973 148.4
[M]- 205.11083 148.4
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