CID 21440911

3-(piperidin-4-yloxy)propan-1-ol

Structural Information

Molecular Formula
C8H17NO2
SMILES
C1CNCCC1OCCCO
InChI
InChI=1S/C8H17NO2/c10-6-1-7-11-8-2-4-9-5-3-8/h8-10H,1-7H2
InChIKey
XVUFXPAZEVAGIX-UHFFFAOYSA-N
Compound name
3-piperidin-4-yloxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

159.12593 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.13321 137.1
[M+Na]+ 182.11515 140.9
[M-H]- 158.11865 135.3
[M+NH4]+ 177.15975 154.8
[M+K]+ 198.08909 139.0
[M+H-H2O]+ 142.12319 130.8
[M+HCOO]- 204.12413 153.7
[M+CH3COO]- 218.13978 170.8
[M+Na-2H]- 180.10060 141.8
[M]+ 159.12538 131.9
[M]- 159.12648 131.9
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

patents stripe