CID 101370

1,2,3,4-tetrahydro-2-naphthoic acid

Structural Information

Molecular Formula
C11H12O2
SMILES
C1CC2=CC=CC=C2CC1C(=O)O
InChI
InChI=1S/C11H12O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10H,5-7H2,(H,12,13)
InChIKey
NTAGXJQHJQUOOA-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

826
Patents

176.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 136.4
[M+Na]+ 199.07294 148.8
[M+NH4]+ 194.11754 145.8
[M+K]+ 215.04688 142.3
[M-H]- 175.07644 138.8
[M+Na-2H]- 197.05839 142.3
[M]+ 176.08317 138.7
[M]- 176.08427 138.7
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

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