CID 6366000

2-methylhex-2-enyl butyrate

Structural Information

Molecular Formula
C11H20O2
SMILES
CCC/C=C(\C)/COC(=O)CCC
InChI
InChI=1S/C11H20O2/c1-4-6-8-10(3)9-13-11(12)7-5-2/h8H,4-7,9H2,1-3H3/b10-8+
InChIKey
SJKVXBSVDPKUFG-CSKARUKUSA-N
Compound name
[(E)-2-methylhex-2-enyl] butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.14633 Da
Monoisotopic Mass

3.4
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.