CID 83827829

7-hydroxy-2,3-dihydro-1h-indene-1-carboxylic acid

Structural Information

Molecular Formula
C10H10O3
SMILES
C1CC2=C(C1C(=O)O)C(=CC=C2)O
InChI
InChI=1S/C10H10O3/c11-8-3-1-2-6-4-5-7(9(6)8)10(12)13/h1-3,7,11H,4-5H2,(H,12,13)
InChIKey
QBQLBBVEKRXFGH-UHFFFAOYSA-N
Compound name
7-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.06299 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07027 135.5
[M+Na]+ 201.05221 143.6
[M-H]- 177.05571 137.7
[M+NH4]+ 196.09681 157.2
[M+K]+ 217.02615 140.7
[M+H-H2O]+ 161.06025 131.0
[M+HCOO]- 223.06119 155.7
[M+CH3COO]- 237.07684 175.3
[M+Na-2H]- 199.03766 139.5
[M]+ 178.06244 133.9
[M]- 178.06354 133.9
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.