CID 5363299

3-hexene-2,5-diol

Structural Information

Molecular Formula
C6H12O2
SMILES
CC(/C=C/C(C)O)O
InChI
InChI=1S/C6H12O2/c1-5(7)3-4-6(2)8/h3-8H,1-2H3/b4-3+
InChIKey
AQSWYJHDAKIVIM-ONEGZZNKSA-N
Compound name
(E)-hex-3-ene-2,5-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

612
Patents

116.08373 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 125.2
[M+Na]+ 139.07295 134.1
[M+NH4]+ 134.11755 132.3
[M+K]+ 155.04689 130.4
[M-H]- 115.07645 123.1
[M+Na-2H]- 137.05840 127.3
[M]+ 116.08318 125.5
[M]- 116.08428 125.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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