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

127
Patents

176.08372 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.090996 137.0
[M+Na]+ 199.072938 144.8
[M-H]- 175.076444 141.6
[M+NH4]+ 194.117543 160.1
[M+K]+ 215.046878 142.9
[M+H-H2O]+ 159.080980 131.7
[M+HCOO]- 221.081921 159.8
[M+CH3COO]- 235.097571 179.6
[M+Na-2H]- 197.058386 141.9
[M]+ 176.08317142 137.5
[M]- 176.08426858 137.5
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