CID 59860531

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

Structural Information

Molecular Formula
C11H12O2
SMILES
CC1(CCC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C11H12O2/c1-11(10(12)13)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
IJYVZCGPRUQYPX-UHFFFAOYSA-N
Compound name
1-methyl-2,3-dihydroindene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
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 137.6
[M+Na]+ 199.07294 148.9
[M+NH4]+ 194.11754 148.1
[M+K]+ 215.04688 142.9
[M-H]- 175.07644 139.1
[M+Na-2H]- 197.05839 143.9
[M]+ 176.08317 139.6
[M]- 176.08427 139.6
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

patents stripe