CID 79977253

2-(3-cyclopropylphenyl)acetic acid

Structural Information

Molecular Formula
C11H12O2
SMILES
C1CC1C2=CC=CC(=C2)CC(=O)O
InChI
InChI=1S/C11H12O2/c12-11(13)7-8-2-1-3-10(6-8)9-4-5-9/h1-3,6,9H,4-5,7H2,(H,12,13)
InChIKey
QOBBIGITZNWWSZ-UHFFFAOYSA-N
Compound name
2-(3-cyclopropylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

176.08372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 134.5
[M+Na]+ 199.07294 143.4
[M-H]- 175.07644 141.0
[M+NH4]+ 194.11754 149.2
[M+K]+ 215.04688 140.2
[M+H-H2O]+ 159.08098 128.3
[M+HCOO]- 221.08192 157.2
[M+CH3COO]- 235.09757 181.8
[M+Na-2H]- 197.05839 140.0
[M]+ 176.08317 136.4
[M]- 176.08427 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