CID 116991

71042-72-3

Structural Information

Molecular Formula
C13H16O2
SMILES
CCOC(=O)C1=C2CCCC2=C(C=C1)C
InChI
InChI=1S/C13H16O2/c1-3-15-13(14)12-8-7-9(2)10-5-4-6-11(10)12/h7-8H,3-6H2,1-2H3
InChIKey
ZZUHUGVNICWMQB-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-2,3-dihydro-1H-indene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

204.11504 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 145.8
[M+Na]+ 227.10426 153.8
[M-H]- 203.10776 150.4
[M+NH4]+ 222.14886 168.2
[M+K]+ 243.07820 151.3
[M+H-H2O]+ 187.11230 140.5
[M+HCOO]- 249.11324 167.9
[M+CH3COO]- 263.12889 186.7
[M+Na-2H]- 225.08971 149.0
[M]+ 204.11449 147.5
[M]- 204.11559 147.5
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