CID 70234

5-hexyn-1-ol

Structural Information

Molecular Formula
C6H10O
SMILES
C#CCCCCO
InChI
InChI=1S/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H2
InChIKey
GOQJMMHTSOQIEI-UHFFFAOYSA-N
Compound name
hex-5-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3248
Patents

98.073166 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 117.9
[M+Na]+ 121.06238 127.3
[M-H]- 97.065890 116.7
[M+NH4]+ 116.10699 138.4
[M+K]+ 137.03632 125.6
[M+H-H2O]+ 81.070426 108.2
[M+HCOO]- 143.07137 135.2
[M+CH3COO]- 157.08702 174.7
[M+Na-2H]- 119.04783 124.3
[M]+ 98.072617 113.1
[M]- 98.073715 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