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]+ 177.09100 136.6
[M+Na]+ 199.07294 144.9
[M-H]- 175.07644 140.2
[M+NH4]+ 194.11754 159.3
[M+K]+ 215.04688 142.1
[M+H-H2O]+ 159.08098 132.0
[M+HCOO]- 221.08192 157.9
[M+CH3COO]- 235.09757 178.8
[M+Na-2H]- 197.05839 140.5
[M]+ 176.08317 135.8
[M]- 176.08427 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