CID 28779

17798-18-4

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CC(=CC(=O)NC1=CC(=CC=C1)OC(=O)NC)C
InChI
InChI=1S/C13H16N2O3/c1-9(2)7-12(16)15-10-5-4-6-11(8-10)18-13(17)14-3/h4-8H,1-3H3,(H,14,17)(H,15,16)
InChIKey
PCAIVGZUKPFHEE-UHFFFAOYSA-N
Compound name
[3-(3-methylbut-2-enoylamino)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 158.2
[M+Na]+ 271.10531 166.8
[M+NH4]+ 266.14991 163.8
[M+K]+ 287.07925 162.5
[M-H]- 247.10881 159.0
[M+Na-2H]- 269.09076 162.1
[M]+ 248.11554 159.1
[M]- 248.11664 159.1
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.