CID 213592

Fc 59

Structural Information

Molecular Formula
C15H19NO3
SMILES
COC1=CC(=CC(=C1O)C(=O)N2CCCC2)CC=C
InChI
InChI=1S/C15H19NO3/c1-3-6-11-9-12(14(17)13(10-11)19-2)15(18)16-7-4-5-8-16/h3,9-10,17H,1,4-8H2,2H3
InChIKey
ZCNVZPBULUFPHR-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-methoxy-5-prop-2-enylphenyl)-pyrrolidin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 160.9
[M+Na]+ 284.12572 167.5
[M-H]- 260.12922 164.8
[M+NH4]+ 279.17032 177.5
[M+K]+ 300.09966 163.9
[M+H-H2O]+ 244.13376 153.8
[M+HCOO]- 306.13470 180.1
[M+CH3COO]- 320.15035 193.8
[M+Na-2H]- 282.11117 160.3
[M]+ 261.13595 160.3
[M]- 261.13705 160.3
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.