CID 10797750

(r)-3,7-dimethyl-5-indanecarboxylic acid

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1CCC2=C1C=C(C=C2C)C(=O)O
InChI
InChI=1S/C12H14O2/c1-7-3-4-10-8(2)5-9(12(13)14)6-11(7)10/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKey
YGZDWJVKOQPZDX-UHFFFAOYSA-N
Compound name
3,7-dimethyl-2,3-dihydro-1H-indene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

190.09938 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 140.7
[M+Na]+ 213.08860 149.5
[M-H]- 189.09210 144.4
[M+NH4]+ 208.13320 163.1
[M+K]+ 229.06254 146.4
[M+H-H2O]+ 173.09664 136.1
[M+HCOO]- 235.09758 161.6
[M+CH3COO]- 249.11323 183.0
[M+Na-2H]- 211.07405 143.4
[M]+ 190.09883 140.6
[M]- 190.09993 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.