CID 22592742

3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

Structural Information

Molecular Formula
C11H12O3
SMILES
C1CCC2=CC(=C(C=C2C1)C(=O)O)O
InChI
InChI=1S/C11H12O3/c12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14/h5-6,12H,1-4H2,(H,13,14)
InChIKey
WFOLEQGOHRSJHA-UHFFFAOYSA-N
Compound name
3-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

192.07864 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 138.8
[M+Na]+ 215.06786 145.6
[M-H]- 191.07136 140.6
[M+NH4]+ 210.11246 158.1
[M+K]+ 231.04180 142.6
[M+H-H2O]+ 175.07590 133.6
[M+HCOO]- 237.07684 156.5
[M+CH3COO]- 251.09249 178.9
[M+Na-2H]- 213.05331 143.8
[M]+ 192.07809 135.5
[M]- 192.07919 135.5
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