CID 12598146

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

Structural Information

Molecular Formula
C11H12O2
SMILES
C1CC(C2=CC=CC=C2C1)C(=O)O
InChI
InChI=1S/C11H12O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H,12,13)
InChIKey
VDLWTJCSPSUGOA-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1819
Patents

176.08372 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 135.6
[M+Na]+ 199.07294 142.0
[M-H]- 175.07644 138.4
[M+NH4]+ 194.11754 156.0
[M+K]+ 215.04688 139.3
[M+H-H2O]+ 159.08098 130.1
[M+HCOO]- 221.08192 154.7
[M+CH3COO]- 235.09757 178.0
[M+Na-2H]- 197.05839 141.7
[M]+ 176.08317 132.2
[M]- 176.08427 132.2
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