CID 55251671

(2z,4z)-hexa-2,4-diene-1,6-diol

Structural Information

Molecular Formula
C6H10O2
SMILES
C(O)/C=C\C=C/CO
InChI
InChI=1S/C6H10O2/c7-5-3-1-2-4-6-8/h1-4,7-8H,5-6H2/b3-1-,4-2-
InChIKey
UALGDSCLDIEGCQ-CCAGOZQPSA-N
Compound name
(2Z,4Z)-hexa-2,4-diene-1,6-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

114.06808 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.075356 123.8
[M+Na]+ 137.057298 130.9
[M-H]- 113.060804 121.3
[M+NH4]+ 132.101903 145.3
[M+K]+ 153.031238 128.6
[M+H-H2O]+ 97.065340 119.9
[M+HCOO]- 159.066281 145.5
[M+CH3COO]- 173.081931 162.6
[M+Na-2H]- 135.042746 129.9
[M]+ 114.06753142 122.6
[M]- 114.06862858 122.6
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