CID 21149847

94278-39-4

Structural Information

Molecular Formula
C13H22O2
SMILES
CCC(CC)COC(=O)CC1CCC=C1
InChI
InChI=1S/C13H22O2/c1-3-11(4-2)10-15-13(14)9-12-7-5-6-8-12/h5,7,11-12H,3-4,6,8-10H2,1-2H3
InChIKey
KCCAJFPBAQGCQC-UHFFFAOYSA-N
Compound name
2-ethylbutyl 2-cyclopent-2-en-1-ylacetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

5
Patents

210.16199 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 153.9
[M+Na]+ 233.151208 158.3
[M-H]- 209.154714 156.5
[M+NH4]+ 228.195813 174.3
[M+K]+ 249.125148 157.1
[M+H-H2O]+ 193.159250 147.9
[M+HCOO]- 255.160191 175.0
[M+CH3COO]- 269.175841 188.0
[M+Na-2H]- 231.136656 154.1
[M]+ 210.16144142 155.3
[M]- 210.16253858 155.3
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