CID 71307771

3-ethenylphenyl ethyl(methyl)carbamate

Structural Information

Molecular Formula
C12H15NO2
SMILES
CCN(C)C(=O)OC1=CC=CC(=C1)C=C
InChI
InChI=1S/C12H15NO2/c1-4-10-7-6-8-11(9-10)15-12(14)13(3)5-2/h4,6-9H,1,5H2,2-3H3
InChIKey
NARZULAZYYDYNA-UHFFFAOYSA-N
Compound name
(3-ethenylphenyl) N-ethyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 145.7
[M+Na]+ 228.09950 152.5
[M-H]- 204.10300 150.8
[M+NH4]+ 223.14410 165.3
[M+K]+ 244.07344 151.6
[M+H-H2O]+ 188.10754 139.2
[M+HCOO]- 250.10848 170.8
[M+CH3COO]- 264.12413 191.6
[M+Na-2H]- 226.08495 150.0
[M]+ 205.10973 148.3
[M]- 205.11083 148.3
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.