CID 12557082

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

Structural Information

Molecular Formula
C13H16O2
SMILES
CC1(CC(CC2=CC=CC=C21)C(=O)O)C
InChI
InChI=1S/C13H16O2/c1-13(2)8-10(12(14)15)7-9-5-3-4-6-11(9)13/h3-6,10H,7-8H2,1-2H3,(H,14,15)
InChIKey
LOGVJPMKVSHMGR-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

204.11504 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 145.4
[M+Na]+ 227.10426 157.9
[M+NH4]+ 222.14886 155.9
[M+K]+ 243.07820 149.5
[M-H]- 203.10776 147.7
[M+Na-2H]- 225.08971 152.1
[M]+ 204.11449 148.0
[M]- 204.11559 148.0
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