CID 3028410

5'-(3'-methoxy-4'-hydroxyphenyl)-gamma-valerolactone

Structural Information

Molecular Formula
C12H14O4
SMILES
COC1=C(C=CC(=C1)CC2CCC(=O)O2)O
InChI
InChI=1S/C12H14O4/c1-15-11-7-8(2-4-10(11)13)6-9-3-5-12(14)16-9/h2,4,7,9,13H,3,5-6H2,1H3
InChIKey
GCIFEQYZDROELP-UHFFFAOYSA-N
Compound name
5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

53
Patents

222.0892 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.09648 147.5
[M+Na]+ 245.07842 159.1
[M+NH4]+ 240.12302 155.1
[M+K]+ 261.05236 155.8
[M-H]- 221.08192 151.0
[M+Na-2H]- 243.06387 152.4
[M]+ 222.08865 150.0
[M]- 222.08975 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe