CID 5367681

Cis-3-hexenyl isovalerate

Structural Information

Molecular Formula
C11H20O2
SMILES
CC/C=C\CCOC(=O)CC(C)C
InChI
InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h5-6,10H,4,7-9H2,1-3H3/b6-5-
InChIKey
AIQLNKITFBJPFO-WAYWQWQTSA-N
Compound name
[(Z)-hex-3-enyl] 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

513
Patents

184.14633 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 145.6
[M+Na]+ 207.13555 154.7
[M+NH4]+ 202.18015 152.3
[M+K]+ 223.10949 149.0
[M-H]- 183.13905 144.1
[M+Na-2H]- 205.12100 147.5
[M]+ 184.14578 146.1
[M]- 184.14688 146.1
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

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