CID 6285934

4-hexen-1-yn-3-ol

Structural Information

Molecular Formula
C6H8O
SMILES
C/C=C/C(C#C)O
InChI
InChI=1S/C6H8O/c1-3-5-6(7)4-2/h2-3,5-7H,1H3/b5-3+
InChIKey
SRSOGIWDNSFTEG-HWKANZROSA-N
Compound name
(E)-hex-4-en-1-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

96.05752 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 119.3
[M+Na]+ 119.04674 128.8
[M-H]- 95.050244 118.2
[M+NH4]+ 114.09134 139.8
[M+K]+ 135.02068 126.8
[M+H-H2O]+ 79.054780 109.6
[M+HCOO]- 141.05572 135.8
[M+CH3COO]- 155.07137 174.0
[M+Na-2H]- 117.03219 124.2
[M]+ 96.056971 113.1
[M]- 96.058069 113.1
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