CID 239252

Nsc44165

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC(C)OC(=O)NC1=CC=CC(=C1)C=C
InChI
InChI=1S/C12H15NO2/c1-4-10-6-5-7-11(8-10)13-12(14)15-9(2)3/h4-9H,1H2,2-3H3,(H,13,14)
InChIKey
YXRHDZHVPSAXHV-UHFFFAOYSA-N
Compound name
propan-2-yl N-(3-ethenylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.11028 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 146.4
[M+Na]+ 228.09950 152.8
[M-H]- 204.10300 150.0
[M+NH4]+ 223.14410 165.2
[M+K]+ 244.07344 150.9
[M+H-H2O]+ 188.10754 140.1
[M+HCOO]- 250.10848 169.9
[M+CH3COO]- 264.12413 189.0
[M+Na-2H]- 226.08495 150.1
[M]+ 205.10973 147.1
[M]- 205.11083 147.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.