CID 145867431

[1-(but-3-yn-1-yl)-3-methoxypiperidin-3-yl]methanol hydrochloride

Structural Information

Molecular Formula
C11H19NO2
SMILES
COC1(CCCN(C1)CCC#C)CO
InChI
InChI=1S/C11H19NO2/c1-3-4-7-12-8-5-6-11(9-12,10-13)14-2/h1,13H,4-10H2,2H3
InChIKey
BFODQVHJLLUNGV-UHFFFAOYSA-N
Compound name
(1-but-3-ynyl-3-methoxypiperidin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.14159 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.14887 142.0
[M+Na]+ 220.13081 149.9
[M-H]- 196.13431 141.2
[M+NH4]+ 215.17541 159.2
[M+K]+ 236.10475 146.1
[M+H-H2O]+ 180.13885 130.5
[M+HCOO]- 242.13979 154.3
[M+CH3COO]- 256.15544 189.6
[M+Na-2H]- 218.11626 145.9
[M]+ 197.14104 135.0
[M]- 197.14214 135.0
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.