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]+ 216.195796 155.0
[M+Na]+ 238.177738 157.2
[M-H]- 214.181244 153.9
[M+NH4]+ 233.222343 171.1
[M+K]+ 254.151678 155.7
[M+H-H2O]+ 198.185780 147.7
[M+HCOO]- 260.186721 170.8
[M+CH3COO]- 274.202371 186.3
[M+Na-2H]- 236.163186 156.8
[M]+ 215.18797142 152.5
[M]- 215.18906858 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.