CID 14913071

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

Structural Information

Molecular Formula
C10H10O3
SMILES
C1C2=CC=CC=C2CC1(C(=O)O)O
InChI
InChI=1S/C10H10O3/c11-9(12)10(13)5-7-3-1-2-4-8(7)6-10/h1-4,13H,5-6H2,(H,11,12)
InChIKey
QXZHLYGZXSVTGM-UHFFFAOYSA-N
Compound name
2-hydroxy-1,3-dihydroindene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

178.06299 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07027 136.5
[M+Na]+ 201.05221 144.8
[M-H]- 177.05571 138.8
[M+NH4]+ 196.09681 160.0
[M+K]+ 217.02615 141.9
[M+H-H2O]+ 161.06025 132.5
[M+HCOO]- 223.06119 156.7
[M+CH3COO]- 237.07684 173.7
[M+Na-2H]- 199.03766 142.3
[M]+ 178.06244 134.9
[M]- 178.06354 134.9
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

patents stripe