CID 12562882

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

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1(CCC2=CC=CC=C2C1)C(=O)O
InChI
InChI=1S/C12H14O2/c1-12(11(13)14)7-6-9-4-2-3-5-10(9)8-12/h2-5H,6-8H2,1H3,(H,13,14)
InChIKey
NZWGWZMCDWLRON-UHFFFAOYSA-N
Compound name
2-methyl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

190.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 141.0
[M+Na]+ 213.08860 148.0
[M-H]- 189.09210 144.1
[M+NH4]+ 208.13320 162.9
[M+K]+ 229.06254 145.2
[M+H-H2O]+ 173.09664 135.9
[M+HCOO]- 235.09758 159.7
[M+CH3COO]- 249.11323 180.6
[M+Na-2H]- 211.07405 147.6
[M]+ 190.09883 138.3
[M]- 190.09993 138.3
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