CID 22342475

2-hexen-1-ol, 3-methyl-, acetate

Structural Information

Molecular Formula
C9H16O2
SMILES
CCC/C(=C/COC(=O)C)/C
InChI
InChI=1S/C9H16O2/c1-4-5-8(2)6-7-11-9(3)10/h6H,4-5,7H2,1-3H3/b8-6+
InChIKey
WPKWKTFXIURJFK-SOFGYWHQSA-N
Compound name
[(E)-3-methylhex-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

435
Patents

156.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 136.8
[M+Na]+ 179.10426 146.3
[M+NH4]+ 174.14886 143.8
[M+K]+ 195.07820 141.1
[M-H]- 155.10776 135.4
[M+Na-2H]- 177.08971 139.3
[M]+ 156.11449 137.4
[M]- 156.11559 137.4
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

patents stripe