CID 130122708

2-(prop-2-yn-1-yl)hexan-1-ol

Structural Information

Molecular Formula
C9H16O
SMILES
CCCCC(CC#C)CO
InChI
InChI=1S/C9H16O/c1-3-5-7-9(8-10)6-4-2/h2,9-10H,3,5-8H2,1H3
InChIKey
URULHGMRATTZEQ-UHFFFAOYSA-N
Compound name
2-prop-2-ynylhexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 130.9
[M+Na]+ 163.10934 140.7
[M+NH4]+ 158.15394 135.2
[M+K]+ 179.08328 132.2
[M-H]- 139.11284 122.5
[M+Na-2H]- 161.09479 131.6
[M]+ 140.11957 129.0
[M]- 140.12067 129.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.