CID 517730

2-cyclopentylbut-3-yn-2-ol

Structural Information

Molecular Formula
C9H14O
SMILES
CC(C#C)(C1CCCC1)O
InChI
InChI=1S/C9H14O/c1-3-9(2,10)8-6-4-5-7-8/h1,8,10H,4-7H2,2H3
InChIKey
POUOCSXBRGBQME-UHFFFAOYSA-N
Compound name
2-cyclopentylbut-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

138.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 135.1
[M+Na]+ 161.093678 143.6
[M-H]- 137.097184 135.9
[M+NH4]+ 156.138283 155.4
[M+K]+ 177.067618 139.9
[M+H-H2O]+ 121.101720 124.7
[M+HCOO]- 183.102661 149.4
[M+CH3COO]- 197.118311 179.5
[M+Na-2H]- 159.079126 138.4
[M]+ 138.10391142 126.4
[M]- 138.10500858 126.4
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.