CID 66288188

2-(2,3-dihydro-1h-inden-1-yl)-2-hydroxyacetic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
C1CC2=CC=CC=C2C1C(C(=O)O)O
InChI
InChI=1S/C11H12O3/c12-10(11(13)14)9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10,12H,5-6H2,(H,13,14)
InChIKey
BHBSQEIJLWQCPF-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1H-inden-1-yl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.07864 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 141.1
[M+Na]+ 215.06786 147.5
[M-H]- 191.07136 142.8
[M+NH4]+ 210.11246 161.8
[M+K]+ 231.04180 144.9
[M+H-H2O]+ 175.07590 136.2
[M+HCOO]- 237.07684 159.9
[M+CH3COO]- 251.09249 178.1
[M+Na-2H]- 213.05331 143.9
[M]+ 192.07809 138.8
[M]- 192.07919 138.8
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

No patent data available for this compound.