CID 107153

3695-24-7

Structural Information

Molecular Formula
C9H10O5
SMILES
COC1=C(C=C(C=C1)C(C(=O)O)O)O
InChI
InChI=1S/C9H10O5/c1-14-7-3-2-5(4-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
InChIKey
PXMUSCHKJYFZFD-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(3-hydroxy-4-methoxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

764
Patents

198.05283 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.06011 138.8
[M+Na]+ 221.04205 146.1
[M-H]- 197.04555 138.9
[M+NH4]+ 216.08665 156.0
[M+K]+ 237.01599 144.8
[M+H-H2O]+ 181.05009 133.6
[M+HCOO]- 243.05103 158.0
[M+CH3COO]- 257.06668 177.4
[M+Na-2H]- 219.02750 141.6
[M]+ 198.05228 139.1
[M]- 198.05338 139.1
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