CID 9118390

100861-38-9

Structural Information

Molecular Formula
C10H12O3
SMILES
CC1=C(C=C(C=C1)CC(=O)O)OC
InChI
InChI=1S/C10H12O3/c1-7-3-4-8(6-10(11)12)5-9(7)13-2/h3-5H,6H2,1-2H3,(H,11,12)
InChIKey
XCHVZBMNFXWCTR-UHFFFAOYSA-N
Compound name
2-(3-methoxy-4-methylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

180.07864 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.1
[M+Na]+ 203.06786 144.5
[M-H]- 179.07136 139.0
[M+NH4]+ 198.11246 155.9
[M+K]+ 219.04180 143.0
[M+H-H2O]+ 163.07590 130.8
[M+HCOO]- 225.07684 158.8
[M+CH3COO]- 239.09249 180.0
[M+Na-2H]- 201.05331 140.8
[M]+ 180.07809 138.4
[M]- 180.07919 138.4
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