CID 74699

Ethyl 2-cyclopentylideneacetate

Structural Information

Molecular Formula
C9H14O2
SMILES
CCOC(=O)C=C1CCCC1
InChI
InChI=1S/C9H14O2/c1-2-11-9(10)7-8-5-3-4-6-8/h7H,2-6H2,1H3
InChIKey
TXXWSOKUXUMWRZ-UHFFFAOYSA-N
Compound name
ethyl 2-cyclopentylideneacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

154.09938 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 135.6
[M+Na]+ 177.08860 141.3
[M-H]- 153.09210 138.5
[M+NH4]+ 172.13320 158.2
[M+K]+ 193.06254 140.3
[M+H-H2O]+ 137.09664 130.3
[M+HCOO]- 199.09758 157.8
[M+CH3COO]- 213.11323 173.9
[M+Na-2H]- 175.07405 138.2
[M]+ 154.09883 133.9
[M]- 154.09993 133.9
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