CID 20836373

[2-[(e)-hex-2-enyl]cyclopentyl] acetate

Structural Information

Molecular Formula
C13H22O2
SMILES
CCC/C=C/CC1CCCC1OC(=O)C
InChI
InChI=1S/C13H22O2/c1-3-4-5-6-8-12-9-7-10-13(12)15-11(2)14/h5-6,12-13H,3-4,7-10H2,1-2H3/b6-5+
InChIKey
FSDJGLBVHJXIOG-AATRIKPKSA-N
Compound name
[2-[(E)-hex-2-enyl]cyclopentyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 153.2
[M+Na]+ 233.15121 158.1
[M-H]- 209.15471 155.7
[M+NH4]+ 228.19581 173.8
[M+K]+ 249.12515 156.1
[M+H-H2O]+ 193.15925 147.5
[M+HCOO]- 255.16019 174.0
[M+CH3COO]- 269.17584 187.2
[M+Na-2H]- 231.13666 153.0
[M]+ 210.16144 153.4
[M]- 210.16254 153.4
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.