CID 566700

1-butoxy-3-(piperidin-1-yl)propan-2-ol

Structural Information

Molecular Formula
C12H25NO2
SMILES
CCCCOCC(CN1CCCCC1)O
InChI
InChI=1S/C12H25NO2/c1-2-3-9-15-11-12(14)10-13-7-5-4-6-8-13/h12,14H,2-11H2,1H3
InChIKey
VELFHCRDXQPIHM-UHFFFAOYSA-N
Compound name
1-butoxy-3-piperidin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.18852 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.19580 155.0
[M+Na]+ 238.17774 157.2
[M-H]- 214.18124 153.9
[M+NH4]+ 233.22234 171.1
[M+K]+ 254.15168 155.7
[M+H-H2O]+ 198.18578 147.7
[M+HCOO]- 260.18672 170.8
[M+CH3COO]- 274.20237 186.3
[M+Na-2H]- 236.16319 156.8
[M]+ 215.18797 152.5
[M]- 215.18907 152.5
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.