CID 40726

53310-27-3

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]+ 224.200896 155.7
[M+Na]+ 246.182838 161.1
[M-H]- 222.186344 154.0
[M+NH4]+ 241.227443 170.1
[M+K]+ 262.156778 156.9
[M+H-H2O]+ 206.190880 143.4
[M+HCOO]- 268.191821 165.5
[M+CH3COO]- 282.207471 194.4
[M+Na-2H]- 244.168286 158.0
[M]+ 223.19307142 147.0
[M]- 223.19416858 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.