CID 5366234

2-hexen-4-ol

Structural Information

Molecular Formula
C6H12O
SMILES
CCC(/C=C/C)O
InChI
InChI=1S/C6H12O/c1-3-5-6(7)4-2/h3,5-7H,4H2,1-2H3/b5-3+
InChIKey
KWUXUOPPQQMMIL-HWKANZROSA-N
Compound name
(E)-hex-4-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

531
Patents

100.08881 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.09609 121.3
[M+Na]+ 123.07803 131.6
[M+NH4]+ 118.12263 129.5
[M+K]+ 139.05197 126.2
[M-H]- 99.081534 120.6
[M+Na-2H]- 121.06348 125.0
[M]+ 100.08826 122.3
[M]- 100.08936 122.3
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

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