CID 6435822

(z)-3-methylpent-2-en-4-yn-1-ol

Structural Information

Molecular Formula
C6H8O
SMILES
C/C(=C/CO)/C#C
InChI
InChI=1S/C6H8O/c1-3-6(2)4-5-7/h1,4,7H,5H2,2H3/b6-4-
InChIKey
ZSJHASYJQIRSLE-XQRVVYSFSA-N
Compound name
(Z)-3-methylpent-2-en-4-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

274
Patents

96.05752 Da
Monoisotopic Mass

0.9
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