CID 22337475

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

Structural Information

Molecular Formula
C11H12O3
SMILES
C1CC(C2=C(C1)C=C(C=C2)C(=O)O)O
InChI
InChI=1S/C11H12O3/c12-10-3-1-2-7-6-8(11(13)14)4-5-9(7)10/h4-6,10,12H,1-3H2,(H,13,14)
InChIKey
LENZAQJEJGHFBT-UHFFFAOYSA-N
Compound name
5-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

192.07864 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.085916 138.8
[M+Na]+ 215.067858 145.6
[M-H]- 191.071364 140.6
[M+NH4]+ 210.112463 158.1
[M+K]+ 231.041798 142.6
[M+H-H2O]+ 175.075900 133.6
[M+HCOO]- 237.076841 156.5
[M+CH3COO]- 251.092491 178.9
[M+Na-2H]- 213.053306 143.8
[M]+ 192.07809142 135.5
[M]- 192.07918858 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

No literature data available for this compound.

Patent stripe

patents stripe