CID 59214404

952511-65-8

Structural Information

Molecular Formula
C12H14O2
SMILES
CC1(CC2=C(C1)C=C(C=C2)C(=O)O)C
InChI
InChI=1S/C12H14O2/c1-12(2)6-9-4-3-8(11(13)14)5-10(9)7-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKey
OETAGHMATZNMKL-UHFFFAOYSA-N
Compound name
2,2-dimethyl-1,3-dihydroindene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

190.09938 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 141.0
[M+Na]+ 213.08860 149.9
[M-H]- 189.09210 144.8
[M+NH4]+ 208.13320 165.2
[M+K]+ 229.06254 146.9
[M+H-H2O]+ 173.09664 136.9
[M+HCOO]- 235.09758 161.9
[M+CH3COO]- 249.11323 181.3
[M+Na-2H]- 211.07405 145.5
[M]+ 190.09883 140.9
[M]- 190.09993 140.9
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

patents stripe