CID 199445

1-cyclohexylprop-2-yn-1-ol

Structural Information

Molecular Formula
C9H14O
SMILES
C#CC(C1CCCCC1)O
InChI
InChI=1S/C9H14O/c1-2-9(10)8-6-4-3-5-7-8/h1,8-10H,3-7H2
InChIKey
CMJHRFATHWISFN-UHFFFAOYSA-N
Compound name
1-cyclohexylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

115
Patents

138.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.11174 131.3
[M+Na]+ 161.09368 138.4
[M-H]- 137.09718 131.8
[M+NH4]+ 156.13828 149.9
[M+K]+ 177.06762 134.8
[M+H-H2O]+ 121.10172 120.6
[M+HCOO]- 183.10266 144.4
[M+CH3COO]- 197.11831 180.2
[M+Na-2H]- 159.07913 134.4
[M]+ 138.10391 120.7
[M]- 138.10501 120.7
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