CID 12924368

Ethyl 2-cyclopentylprop-2-enoate

Structural Information

Molecular Formula
C10H16O2
SMILES
CCOC(=O)C(=C)C1CCCC1
InChI
InChI=1S/C10H16O2/c1-3-12-10(11)8(2)9-6-4-5-7-9/h9H,2-7H2,1H3
InChIKey
VPQZBEBHNCEGMY-UHFFFAOYSA-N
Compound name
ethyl 2-cyclopentylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

168.11504 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 140.4
[M+Na]+ 191.104258 145.3
[M-H]- 167.107764 143.1
[M+NH4]+ 186.148863 162.3
[M+K]+ 207.078198 144.5
[M+H-H2O]+ 151.112300 135.0
[M+HCOO]- 213.113241 161.2
[M+CH3COO]- 227.128891 178.5
[M+Na-2H]- 189.089706 141.2
[M]+ 168.11449142 138.5
[M]- 168.11558858 138.5
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