CID 106764

67674-44-6

Structural Information

Molecular Formula
C14H22O2
SMILES
CC(=CCC1CCCC1(C=C)OC(=O)C)C
InChI
InChI=1S/C14H22O2/c1-5-14(16-12(4)15)10-6-7-13(14)9-8-11(2)3/h5,8,13H,1,6-7,9-10H2,2-4H3
InChIKey
URFMDPOQTRBASQ-UHFFFAOYSA-N
Compound name
[1-ethenyl-2-(3-methylbut-2-enyl)cyclopentyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.16199 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 156.6
[M+Na]+ 245.15121 164.7
[M+NH4]+ 240.19581 164.8
[M+K]+ 261.12515 158.9
[M-H]- 221.15471 156.3
[M+Na-2H]- 243.13666 159.6
[M]+ 222.16144 157.4
[M]- 222.16254 157.4
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.