CID 28941

18188-17-5

Structural Information

Molecular Formula
C13H17NO3
SMILES
CNC(=O)OC1=CC=CC=C1C(COC)C=C
InChI
InChI=1S/C13H17NO3/c1-4-10(9-16-3)11-7-5-6-8-12(11)17-13(15)14-2/h4-8,10H,1,9H2,2-3H3,(H,14,15)
InChIKey
DHGJHURZBNKHAO-UHFFFAOYSA-N
Compound name
[2-(1-methoxybut-3-en-2-yl)phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 154.1
[M+Na]+ 258.11007 159.9
[M-H]- 234.11357 157.5
[M+NH4]+ 253.15467 171.6
[M+K]+ 274.08401 158.4
[M+H-H2O]+ 218.11811 147.3
[M+HCOO]- 280.11905 177.5
[M+CH3COO]- 294.13470 194.1
[M+Na-2H]- 256.09552 157.3
[M]+ 235.12030 156.6
[M]- 235.12140 156.6
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

No patent data available for this compound.