CID 115873980

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

Structural Information

Molecular Formula
C10H17NO
SMILES
CC1(CCCN(C1)CCC#C)O
InChI
InChI=1S/C10H17NO/c1-3-4-7-11-8-5-6-10(2,12)9-11/h1,12H,4-9H2,2H3
InChIKey
YNSYCBGUKFTFBB-UHFFFAOYSA-N
Compound name
1-but-3-ynyl-3-methylpiperidin-3-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]+ 168.13829 135.9
[M+Na]+ 190.12023 144.3
[M-H]- 166.12373 135.3
[M+NH4]+ 185.16483 154.3
[M+K]+ 206.09417 140.2
[M+H-H2O]+ 150.12827 124.7
[M+HCOO]- 212.12921 148.3
[M+CH3COO]- 226.14486 185.1
[M+Na-2H]- 188.10568 140.2
[M]+ 167.13046 127.2
[M]- 167.13156 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.