CID 19840115

2-(2,6-dimethylphenyl)acetic acid

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1=C(C(=CC=C1)C)CC(=O)O
InChI
InChI=1S/C10H12O2/c1-7-4-3-5-8(2)9(7)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChIKey
MMEXIIGRXCODNK-UHFFFAOYSA-N
Compound name
2-(2,6-dimethylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

164.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 134.2
[M+Na]+ 187.07294 147.0
[M+NH4]+ 182.11754 142.4
[M+K]+ 203.04688 141.1
[M-H]- 163.07644 135.7
[M+Na-2H]- 185.05839 140.3
[M]+ 164.08317 136.4
[M]- 164.08427 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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