CID 5879847

Isoeugenol n-methylcarbamate

Structural Information

Molecular Formula
C12H15NO3
SMILES
C/C=C/C1=CC(=C(C=C1)OC(=O)NC)OC
InChI
InChI=1S/C12H15NO3/c1-4-5-9-6-7-10(11(8-9)15-3)16-12(14)13-2/h4-8H,1-3H3,(H,13,14)/b5-4+
InChIKey
REWCHNBADSSUQQ-SNAWJCMRSA-N
Compound name
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 148.7
[M+Na]+ 244.094418 156.3
[M-H]- 220.097924 152.7
[M+NH4]+ 239.139023 167.3
[M+K]+ 260.068358 154.6
[M+H-H2O]+ 204.102460 142.4
[M+HCOO]- 266.103401 173.5
[M+CH3COO]- 280.119051 190.8
[M+Na-2H]- 242.079866 153.0
[M]+ 221.10465142 151.8
[M]- 221.10574858 151.8
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.