CID 316601

3-cyclohexylprop-2-yn-1-ol

Structural Information

Molecular Formula
C9H14O
SMILES
C1CCC(CC1)C#CCO
InChI
InChI=1S/C9H14O/c10-8-4-7-9-5-2-1-3-6-9/h9-10H,1-3,5-6,8H2
InChIKey
FDBDQHOXWIOIHI-UHFFFAOYSA-N
Compound name
3-cyclohexylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

138.10446 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 130.7
[M+Na]+ 161.09368 138.2
[M-H]- 137.09718 131.2
[M+NH4]+ 156.13828 149.5
[M+K]+ 177.06762 134.2
[M+H-H2O]+ 121.10172 120.0
[M+HCOO]- 183.10266 144.8
[M+CH3COO]- 197.11831 178.3
[M+Na-2H]- 159.07913 135.1
[M]+ 138.10391 120.6
[M]- 138.10501 120.6
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