CID 12723

2-methylhex-5-en-3-yn-2-ol

Structural Information

Molecular Formula
C7H10O
SMILES
CC(C)(C#CC=C)O
InChI
InChI=1S/C7H10O/c1-4-5-6-7(2,3)8/h4,8H,1H2,2-3H3
InChIKey
OYWGYGPXPDGOGH-UHFFFAOYSA-N
Compound name
2-methylhex-5-en-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

110.073166 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 123.4
[M+Na]+ 133.06238 133.6
[M+NH4]+ 128.10699 127.6
[M+K]+ 149.03632 125.7
[M-H]- 109.06589 114.4
[M+Na-2H]- 131.04783 124.6
[M]+ 110.07262 121.4
[M]- 110.07371 121.4
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