CID 5352460

Trans-2-hexenyl isovalerate

Structural Information

Molecular Formula
C11H20O2
SMILES
CCC/C=C/COC(=O)CC(C)C
InChI
InChI=1S/C11H20O2/c1-4-5-6-7-8-13-11(12)9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
InChIKey
SAVRWHQEMHIAEB-VOTSOKGWSA-N
Compound name
[(E)-hex-2-enyl] 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

120
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

patents stripe