CID 22337475

Schembl4337340

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

21
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 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

No literature data available for this compound.

Patent stripe

patents stripe