CID 72559481

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

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1=C2CCCC(C2=CC=C1)C(=O)O
InChI
InChI=1S/C12H14O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2,4,6,11H,3,5,7H2,1H3,(H,13,14)
InChIKey
VDJWDDUMWDXSLA-UHFFFAOYSA-N
Compound name
5-methyl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 139.8
[M+Na]+ 213.08860 146.8
[M-H]- 189.09210 142.9
[M+NH4]+ 208.13320 160.0
[M+K]+ 229.06254 143.8
[M+H-H2O]+ 173.09664 134.4
[M+HCOO]- 235.09758 158.6
[M+CH3COO]- 249.11323 182.2
[M+Na-2H]- 211.07405 144.7
[M]+ 190.09883 137.2
[M]- 190.09993 137.2
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.