CID 4616317

1,1-dicyclohexyl-prop-2-yn-1-ol

Structural Information

Molecular Formula
C15H24O
SMILES
C#CC(C1CCCCC1)(C2CCCCC2)O
InChI
InChI=1S/C15H24O/c1-2-15(16,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h1,13-14,16H,3-12H2
InChIKey
CDBKXBLTORGAHK-UHFFFAOYSA-N
Compound name
1,1-dicyclohexylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

220.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.189986 156.5
[M+Na]+ 243.171928 160.8
[M-H]- 219.175434 158.2
[M+NH4]+ 238.216533 171.6
[M+K]+ 259.145868 154.5
[M+H-H2O]+ 203.179970 144.7
[M+HCOO]- 265.180911 164.6
[M+CH3COO]- 279.196561 193.1
[M+Na-2H]- 241.157376 157.7
[M]+ 220.18216142 141.7
[M]- 220.18325858 141.7
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