CID 14200627

2-methyl-3,4-dihydronaphthalene-1-carboxylic acid

Structural Information

Molecular Formula
C12H12O2
SMILES
CC1=C(C2=CC=CC=C2CC1)C(=O)O
InChI
InChI=1S/C12H12O2/c1-8-6-7-9-4-2-3-5-10(9)11(8)12(13)14/h2-5H,6-7H2,1H3,(H,13,14)
InChIKey
IGCVVCHOXDUQMT-UHFFFAOYSA-N
Compound name
2-methyl-3,4-dihydronaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09100 138.3
[M+Na]+ 211.07294 146.2
[M-H]- 187.07644 141.7
[M+NH4]+ 206.11754 158.6
[M+K]+ 227.04688 143.1
[M+H-H2O]+ 171.08098 132.8
[M+HCOO]- 233.08192 158.5
[M+CH3COO]- 247.09757 181.9
[M+Na-2H]- 209.05839 144.2
[M]+ 188.08317 137.1
[M]- 188.08427 137.1
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

No patent data available for this compound.