CID 55264182

6-methyl-2,3-dihydro-1h-indene-1-carboxylic acid

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1=CC2=C(CCC2C(=O)O)C=C1
InChI
InChI=1S/C11H12O2/c1-7-2-3-8-4-5-9(11(12)13)10(8)6-7/h2-3,6,9H,4-5H2,1H3,(H,12,13)
InChIKey
CDCWPUXBHUKFLH-UHFFFAOYSA-N
Compound name
6-methyl-2,3-dihydro-1H-indene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

176.08372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 136.6
[M+Na]+ 199.072938 144.9
[M-H]- 175.076444 140.2
[M+NH4]+ 194.117543 159.3
[M+K]+ 215.046878 142.1
[M+H-H2O]+ 159.080980 132.0
[M+HCOO]- 221.081921 157.9
[M+CH3COO]- 235.097571 178.8
[M+Na-2H]- 197.058386 140.5
[M]+ 176.08317142 135.8
[M]- 176.08426858 135.8
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