CID 3839612

Methyl 2,3-dihydro-1h-indene-1-carboxylate

Structural Information

Molecular Formula
C11H12O2
SMILES
COC(=O)C1CCC2=CC=CC=C12
InChI
InChI=1S/C11H12O2/c1-13-11(12)10-7-6-8-4-2-3-5-9(8)10/h2-5,10H,6-7H2,1H3
InChIKey
JQCVEFYPCNDKFW-UHFFFAOYSA-N
Compound name
methyl 2,3-dihydro-1H-indene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

176.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.09100 137.0
[M+Na]+ 199.07294 148.8
[M+NH4]+ 194.11754 146.4
[M+K]+ 215.04688 144.2
[M-H]- 175.07644 139.1
[M+Na-2H]- 197.05839 142.4
[M]+ 176.08317 139.2
[M]- 176.08427 139.2
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

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