CID 13561448

90826-32-7

Structural Information

Molecular Formula
C14H19NO2
SMILES
CC(=C)C1=CC(=CC=C1)C(C)(C)NC(=O)OC
InChI
InChI=1S/C14H19NO2/c1-10(2)11-7-6-8-12(9-11)14(3,4)15-13(16)17-5/h6-9H,1H2,2-5H3,(H,15,16)
InChIKey
YMVUWFWBJNWKHN-UHFFFAOYSA-N
Compound name
methyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

24
Patents

233.14159 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.148866 154.6
[M+Na]+ 256.130808 160.6
[M-H]- 232.134314 158.2
[M+NH4]+ 251.175413 172.5
[M+K]+ 272.104748 158.8
[M+H-H2O]+ 216.138850 148.7
[M+HCOO]- 278.139791 175.9
[M+CH3COO]- 292.155441 195.4
[M+Na-2H]- 254.116256 158.1
[M]+ 233.14104142 155.6
[M]- 233.14213858 155.6
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

patents stripe