CID 3018511

74475-27-7

Structural Information

Molecular Formula
C14H18O3
SMILES
CC1(CC(C2=C1C=C(C(=C2)O)C(=O)O)(C)C)C
InChI
InChI=1S/C14H18O3/c1-13(2)7-14(3,4)10-6-11(15)8(12(16)17)5-9(10)13/h5-6,15H,7H2,1-4H3,(H,16,17)
InChIKey
QBFSFIALNTWSIJ-UHFFFAOYSA-N
Compound name
6-hydroxy-1,1,3,3-tetramethyl-2H-indene-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.1256 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.13288 150.1
[M+Na]+ 257.11482 160.4
[M-H]- 233.11832 153.2
[M+NH4]+ 252.15942 174.4
[M+K]+ 273.08876 156.9
[M+H-H2O]+ 217.12286 147.4
[M+HCOO]- 279.12380 168.9
[M+CH3COO]- 293.13945 189.2
[M+Na-2H]- 255.10027 153.5
[M]+ 234.12505 151.6
[M]- 234.12615 151.6
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.