CID 96501

38425-65-9

Structural Information

Molecular Formula
C11H12O2
SMILES
C1CC2=CC=CC=C2C1CC(=O)O
InChI
InChI=1S/C11H12O2/c12-11(13)7-9-6-5-8-3-1-2-4-10(8)9/h1-4,9H,5-7H2,(H,12,13)
InChIKey
RJVZEPWRJJBXLH-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-inden-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

334
Patents

176.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 137.3
[M+Na]+ 199.07294 144.6
[M-H]- 175.07644 140.4
[M+NH4]+ 194.11754 159.6
[M+K]+ 215.04688 141.8
[M+H-H2O]+ 159.08098 132.3
[M+HCOO]- 221.08192 158.5
[M+CH3COO]- 235.09757 177.6
[M+Na-2H]- 197.05839 141.8
[M]+ 176.08317 136.0
[M]- 176.08427 136.0
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