CID 508465

32066-29-8

Structural Information

Molecular Formula
C10H10O4
SMILES
COC(=O)CC(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C10H10O4/c1-14-10(13)6-9(12)7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3
InChIKey
VZOFEVHSVUBEPH-UHFFFAOYSA-N
Compound name
methyl 3-(4-hydroxyphenyl)-3-oxopropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

88
Patents

194.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 138.7
[M+Na]+ 217.047118 146.2
[M-H]- 193.050624 141.3
[M+NH4]+ 212.091723 157.4
[M+K]+ 233.021058 145.1
[M+H-H2O]+ 177.055160 133.1
[M+HCOO]- 239.056101 160.8
[M+CH3COO]- 253.071751 180.3
[M+Na-2H]- 215.032566 142.9
[M]+ 194.05735142 140.6
[M]- 194.05844858 140.6
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