CID 11736129

57295-14-4

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)C=C
InChI
InChI=1S/C13H17NO2/c1-5-10-6-8-11(9-7-10)14-12(15)16-13(2,3)4/h5-9H,1H2,2-4H3,(H,14,15)
InChIKey
TTYAAYBJWCDCLU-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-ethenylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

148
Patents

219.12593 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 150.5
[M+Na]+ 242.115148 157.3
[M-H]- 218.118654 154.3
[M+NH4]+ 237.159753 169.1
[M+K]+ 258.089088 155.2
[M+H-H2O]+ 202.123190 144.7
[M+HCOO]- 264.124131 173.2
[M+CH3COO]- 278.139781 190.8
[M+Na-2H]- 240.100596 155.7
[M]+ 219.12538142 151.7
[M]- 219.12647858 151.7
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