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

4
Patents

204.11504 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.122316 144.7
[M+Na]+ 227.104258 152.2
[M-H]- 203.107764 147.9
[M+NH4]+ 222.148863 166.4
[M+K]+ 243.078198 149.3
[M+H-H2O]+ 187.112300 139.7
[M+HCOO]- 249.113241 163.1
[M+CH3COO]- 263.128891 184.8
[M+Na-2H]- 225.089706 150.1
[M]+ 204.11449142 142.7
[M]- 204.11558858 142.7
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