CID 91786

2-hexylcyclopent-2-enyl acetate

Structural Information

Molecular Formula
C13H22O2
SMILES
CCCCCCC1=CCCC1OC(=O)C
InChI
InChI=1S/C13H22O2/c1-3-4-5-6-8-12-9-7-10-13(12)15-11(2)14/h9,13H,3-8,10H2,1-2H3
InChIKey
KGARLMJLKLKQMZ-UHFFFAOYSA-N
Compound name
(2-hexylcyclopent-2-en-1-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.169266 152.4
[M+Na]+ 233.151208 158.0
[M-H]- 209.154714 155.3
[M+NH4]+ 228.195813 173.2
[M+K]+ 249.125148 156.4
[M+H-H2O]+ 193.159250 146.6
[M+HCOO]- 255.160191 174.5
[M+CH3COO]- 269.175841 188.3
[M+Na-2H]- 231.136656 153.2
[M]+ 210.16144142 154.9
[M]- 210.16253858 154.9
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

No patent data available for this compound.