CID 12724507

Dtxsid30887826

Structural Information

Molecular Formula
C13H18O2
SMILES
CCOC(=O)C1=C2CCCC2C(C=C1)C
InChI
InChI=1S/C13H18O2/c1-3-15-13(14)12-8-7-9(2)10-5-4-6-11(10)12/h7-10H,3-6H2,1-2H3
InChIKey
UJQQPFCYZSIHJE-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-2,3,7,7a-tetrahydro-1H-indene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.13068 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 147.5
[M+Na]+ 229.119898 154.4
[M-H]- 205.123404 151.7
[M+NH4]+ 224.164503 169.7
[M+K]+ 245.093838 152.2
[M+H-H2O]+ 189.127940 142.2
[M+HCOO]- 251.128881 168.1
[M+CH3COO]- 265.144531 187.1
[M+Na-2H]- 227.105346 149.7
[M]+ 206.13013142 147.7
[M]- 206.13122858 147.7
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

No patent data available for this compound.