CID 12398744

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

Structural Information

Molecular Formula
C11H10O2
SMILES
CC1C2=CC=CC=C2C=C1C(=O)O
InChI
InChI=1S/C11H10O2/c1-7-9-5-3-2-4-8(9)6-10(7)11(12)13/h2-7H,1H3,(H,12,13)
InChIKey
FCYXPVYPQBAIJT-UHFFFAOYSA-N
Compound name
1-methyl-1H-indene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

174.06808 Da
Monoisotopic Mass

2.3
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

No literature data available for this compound.

Patent stripe

patents stripe