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

64
Patents

159.12593 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 137.1
[M+Na]+ 182.115148 140.9
[M-H]- 158.118654 135.3
[M+NH4]+ 177.159753 154.8
[M+K]+ 198.089088 139.0
[M+H-H2O]+ 142.123190 130.8
[M+HCOO]- 204.124131 153.7
[M+CH3COO]- 218.139781 170.8
[M+Na-2H]- 180.100596 141.8
[M]+ 159.12538142 131.9
[M]- 159.12647858 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