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]+ 198.148866 142.0
[M+Na]+ 220.130808 149.9
[M-H]- 196.134314 141.2
[M+NH4]+ 215.175413 159.2
[M+K]+ 236.104748 146.1
[M+H-H2O]+ 180.138850 130.5
[M+HCOO]- 242.139791 154.3
[M+CH3COO]- 256.155441 189.6
[M+Na-2H]- 218.116256 145.9
[M]+ 197.14104142 135.0
[M]- 197.14213858 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.