CID 107074

68039-73-6

Structural Information

Molecular Formula
C14H22O2
SMILES
CC=CC(=O)OC1CCCC1C2CCCC2
InChI
InChI=1S/C14H22O2/c1-2-6-14(15)16-13-10-5-9-12(13)11-7-3-4-8-11/h2,6,11-13H,3-5,7-10H2,1H3
InChIKey
IBCFURUUOKXNFW-UHFFFAOYSA-N
Compound name
(2-cyclopentylcyclopentyl) but-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

320
Patents

222.16199 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 157.6
[M+Na]+ 245.15121 161.2
[M-H]- 221.15471 163.0
[M+NH4]+ 240.19581 178.9
[M+K]+ 261.12515 158.9
[M+H-H2O]+ 205.15925 151.6
[M+HCOO]- 267.16019 177.4
[M+CH3COO]- 281.17584 186.8
[M+Na-2H]- 243.13666 154.8
[M]+ 222.16144 153.5
[M]- 222.16254 153.5
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