CID 2760923

Methyl 1h-indene-3-carboxylate

Structural Information

Molecular Formula
C11H10O2
SMILES
COC(=O)C1=CCC2=CC=CC=C21
InChI
InChI=1S/C11H10O2/c1-13-11(12)10-7-6-8-4-2-3-5-9(8)10/h2-5,7H,6H2,1H3
InChIKey
MLCZDADAEVAQBF-UHFFFAOYSA-N
Compound name
methyl 3H-indene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

68
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 135.3
[M+Na]+ 197.057298 144.2
[M-H]- 173.060804 140.3
[M+NH4]+ 192.101903 158.6
[M+K]+ 213.031238 142.1
[M+H-H2O]+ 157.065340 130.1
[M+HCOO]- 219.066281 159.6
[M+CH3COO]- 233.081931 179.2
[M+Na-2H]- 195.042746 141.3
[M]+ 174.06753142 137.3
[M]- 174.06862858 137.3
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