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

31
Patents

138.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 135.1
[M+Na]+ 161.09368 143.6
[M-H]- 137.09718 135.9
[M+NH4]+ 156.13828 155.4
[M+K]+ 177.06762 139.9
[M+H-H2O]+ 121.10172 124.7
[M+HCOO]- 183.10266 149.4
[M+CH3COO]- 197.11831 179.5
[M+Na-2H]- 159.07913 138.4
[M]+ 138.10391 126.4
[M]- 138.10501 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

patents stripe