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

19
Patents

174.06808 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 134.9
[M+Na]+ 197.05730 144.3
[M-H]- 173.06080 138.9
[M+NH4]+ 192.10190 157.8
[M+K]+ 213.03124 141.3
[M+H-H2O]+ 157.06534 130.3
[M+HCOO]- 219.06628 157.7
[M+CH3COO]- 233.08193 178.4
[M+Na-2H]- 195.04275 139.8
[M]+ 174.06753 135.6
[M]- 174.06863 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