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]+ 191.106656 139.8
[M+Na]+ 213.088598 146.8
[M-H]- 189.092104 142.9
[M+NH4]+ 208.133203 160.0
[M+K]+ 229.062538 143.8
[M+H-H2O]+ 173.096640 134.4
[M+HCOO]- 235.097581 158.6
[M+CH3COO]- 249.113231 182.2
[M+Na-2H]- 211.074046 144.7
[M]+ 190.09883142 137.2
[M]- 190.09992858 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.