CID 12724507

71042-73-4

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]+ 207.13796 147.5
[M+Na]+ 229.11990 154.4
[M-H]- 205.12340 151.7
[M+NH4]+ 224.16450 169.7
[M+K]+ 245.09384 152.2
[M+H-H2O]+ 189.12794 142.2
[M+HCOO]- 251.12888 168.1
[M+CH3COO]- 265.14453 187.1
[M+Na-2H]- 227.10535 149.7
[M]+ 206.13013 147.7
[M]- 206.13123 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.