CID 44150992

Einecs 301-561-7

Structural Information

Molecular Formula
C13H18O2
SMILES
C/C(=C\C1CC2CC1C=C2)/COC(=O)C
InChI
InChI=1S/C13H18O2/c1-9(8-15-10(2)14)5-13-7-11-3-4-12(13)6-11/h3-5,11-13H,6-8H2,1-2H3/b9-5+
InChIKey
QNNYYPAKSALPHF-WEVVVXLNSA-N
Compound name
[(E)-3-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylprop-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 152.6
[M+Na]+ 229.119898 158.8
[M-H]- 205.123404 155.2
[M+NH4]+ 224.164503 176.8
[M+K]+ 245.093838 156.6
[M+H-H2O]+ 189.127940 148.2
[M+HCOO]- 251.128881 172.8
[M+CH3COO]- 265.144531 186.9
[M+Na-2H]- 227.105346 152.7
[M]+ 206.13013142 153.6
[M]- 206.13122858 153.6
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