CID 40726

3-methyl-8-(1-piperidinyl)-4-octyn-3-ol hydrochloride

Structural Information

Molecular Formula
C14H25NO
SMILES
CCCC#CC(C)(CCN1CCCCC1)O
InChI
InChI=1S/C14H25NO/c1-3-4-6-9-14(2,16)10-13-15-11-7-5-8-12-15/h16H,3-5,7-8,10-13H2,1-2H3
InChIKey
WDQIZHGIXTWGHD-UHFFFAOYSA-N
Compound name
3-methyl-1-piperidin-1-yloct-4-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.19362 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.20090 155.7
[M+Na]+ 246.18284 161.1
[M-H]- 222.18634 154.0
[M+NH4]+ 241.22744 170.1
[M+K]+ 262.15678 156.9
[M+H-H2O]+ 206.19088 143.4
[M+HCOO]- 268.19182 165.5
[M+CH3COO]- 282.20747 194.4
[M+Na-2H]- 244.16829 158.0
[M]+ 223.19307 147.0
[M]- 223.19417 147.0
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

No patent data available for this compound.