CID 9859103

(e)-tert-butyl benzylidenecarbamate

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

61
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 147.0
[M+Na]+ 228.09950 158.3
[M+NH4]+ 223.14410 154.7
[M+K]+ 244.07344 152.4
[M-H]- 204.10300 148.8
[M+Na-2H]- 226.08495 153.8
[M]+ 205.10973 149.0
[M]- 205.11083 149.0
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