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 157.7
[M+Na]+ 271.10531 162.8
[M-H]- 247.10881 161.2
[M+NH4]+ 266.14991 174.2
[M+K]+ 287.07925 161.2
[M+H-H2O]+ 231.11335 150.6
[M+HCOO]- 293.11429 181.3
[M+CH3COO]- 307.12994 198.0
[M+Na-2H]- 269.09076 159.9
[M]+ 248.11554 157.9
[M]- 248.11664 157.9
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