CID 234735

2-methylpent-4-yn-2-ol

Structural Information

Molecular Formula
C6H10O
SMILES
CC(C)(CC#C)O
InChI
InChI=1S/C6H10O/c1-4-5-6(2,3)7/h1,7H,5H2,2-3H3
InChIKey
BXOJBMSEIGMKSS-UHFFFAOYSA-N
Compound name
2-methylpent-4-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

98.073166 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 119.1
[M+Na]+ 121.06238 129.4
[M+NH4]+ 116.10699 123.7
[M+K]+ 137.03632 121.9
[M-H]- 97.065890 110.4
[M+Na-2H]- 119.04783 120.7
[M]+ 98.072617 117.2
[M]- 98.073715 117.2
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