CID 103376

Cyclohexyl cyclopent-2-ene-1-acetate

Structural Information

Molecular Formula
C13H20O2
SMILES
C1CCC(CC1)OC(=O)CC2CCC=C2
InChI
InChI=1S/C13H20O2/c14-13(10-11-6-4-5-7-11)15-12-8-2-1-3-9-12/h4,6,11-12H,1-3,5,7-10H2
InChIKey
QIRQXZYFSAUIFV-UHFFFAOYSA-N
Compound name
cyclohexyl 2-cyclopent-2-en-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

7
Patents

208.14633 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.153606 150.7
[M+Na]+ 231.135548 153.5
[M-H]- 207.139054 155.8
[M+NH4]+ 226.180153 170.5
[M+K]+ 247.109488 151.8
[M+H-H2O]+ 191.143590 143.9
[M+HCOO]- 253.144531 170.0
[M+CH3COO]- 267.160181 183.8
[M+Na-2H]- 229.120996 151.4
[M]+ 208.14578142 145.8
[M]- 208.14687858 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe