CID 131752794

(2e,5z)-hepta-2,5-dien-1-ol

Structural Information

Molecular Formula
C7H12O
SMILES
C/C=C\C/C=C/CO
InChI
InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h2-3,5-6,8H,4,7H2,1H3/b3-2-,6-5+
InChIKey
ZKKRKBOEKNOTPX-NDEAWQBTSA-N
Compound name
(2E,5Z)-hepta-2,5-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

112.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 124.9
[M+Na]+ 135.07803 135.4
[M+NH4]+ 130.12263 132.7
[M+K]+ 151.05197 128.8
[M-H]- 111.08153 124.0
[M+Na-2H]- 133.06348 128.5
[M]+ 112.08826 125.8
[M]- 112.08936 125.8
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