CID 21712247

2-(2-cyclopropylphenyl)acetic acid

Structural Information

Molecular Formula
C11H12O2
SMILES
C1CC1C2=CC=CC=C2CC(=O)O
InChI
InChI=1S/C11H12O2/c12-11(13)7-9-3-1-2-4-10(9)8-5-6-8/h1-4,8H,5-7H2,(H,12,13)
InChIKey
QNGJCLXAMSPKJU-UHFFFAOYSA-N
Compound name
2-(2-cyclopropylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

176.08372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 134.5
[M+Na]+ 199.072938 143.4
[M-H]- 175.076444 141.0
[M+NH4]+ 194.117543 149.2
[M+K]+ 215.046878 140.2
[M+H-H2O]+ 159.080980 128.3
[M+HCOO]- 221.081921 157.2
[M+CH3COO]- 235.097571 181.8
[M+Na-2H]- 197.058386 140.0
[M]+ 176.08317142 136.4
[M]- 176.08426858 136.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe