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

45
Patents

220.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 156.5
[M+Na]+ 243.17193 160.8
[M-H]- 219.17543 158.2
[M+NH4]+ 238.21653 171.6
[M+K]+ 259.14587 154.5
[M+H-H2O]+ 203.17997 144.7
[M+HCOO]- 265.18091 164.6
[M+CH3COO]- 279.19656 193.1
[M+Na-2H]- 241.15738 157.7
[M]+ 220.18216 141.7
[M]- 220.18326 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