CID 118616

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

Structural Information

Molecular Formula
C11H10O2
SMILES
CC1=C(CC2=CC=CC=C12)C(=O)O
InChI
InChI=1S/C11H10O2/c1-7-9-5-3-2-4-8(9)6-10(7)11(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey
RONBYWGSEXDEKC-UHFFFAOYSA-N
Compound name
3-methyl-1H-indene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

174.06808 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.075356 134.9
[M+Na]+ 197.057298 144.3
[M-H]- 173.060804 138.9
[M+NH4]+ 192.101903 157.8
[M+K]+ 213.031238 141.3
[M+H-H2O]+ 157.065340 130.3
[M+HCOO]- 219.066281 157.7
[M+CH3COO]- 233.081931 178.4
[M+Na-2H]- 195.042746 139.8
[M]+ 174.06753142 135.6
[M]- 174.06862858 135.6
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