CID 114286616

1-(but-3-yn-1-yl)-4-methylpiperidin-4-ol

Structural Information

Molecular Formula
C10H17NO
SMILES
CC1(CCN(CC1)CCC#C)O
InChI
InChI=1S/C10H17NO/c1-3-4-7-11-8-5-10(2,12)6-9-11/h1,12H,4-9H2,2H3
InChIKey
GWCFPDBRCFARKD-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-4-methylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.13101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.138286 135.9
[M+Na]+ 190.120228 144.3
[M-H]- 166.123734 135.3
[M+NH4]+ 185.164833 154.3
[M+K]+ 206.094168 140.2
[M+H-H2O]+ 150.128270 124.7
[M+HCOO]- 212.129211 148.3
[M+CH3COO]- 226.144861 185.1
[M+Na-2H]- 188.105676 140.2
[M]+ 167.13046142 127.2
[M]- 167.13155858 127.2
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.