CID 5463541

Einecs 238-536-4

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(C)C/C(=C/C(=O)C)/O
InChI
InChI=1S/C8H14O2/c1-6(2)4-8(10)5-7(3)9/h5-6,10H,4H2,1-3H3/b8-5-
InChIKey
INFAIQJJHHRHCF-YVMONPNESA-N
Compound name
(Z)-4-hydroxy-6-methylhept-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 133.0
[M+Na]+ 165.08860 141.8
[M+NH4]+ 160.13320 139.7
[M+K]+ 181.06254 138.0
[M-H]- 141.09210 130.9
[M+Na-2H]- 163.07405 134.8
[M]+ 142.09883 133.3
[M]- 142.09993 133.3
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.