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]+ 234.14887 154.6
[M+Na]+ 256.13081 160.6
[M-H]- 232.13431 158.2
[M+NH4]+ 251.17541 172.5
[M+K]+ 272.10475 158.8
[M+H-H2O]+ 216.13885 148.7
[M+HCOO]- 278.13979 175.9
[M+CH3COO]- 292.15544 195.4
[M+Na-2H]- 254.11626 158.1
[M]+ 233.14104 155.6
[M]- 233.14214 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