CID 12174992

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

Structural Information

Molecular Formula
C8H18N2O
SMILES
C1CCN(CC1)CC(CN)O
InChI
InChI=1S/C8H18N2O/c9-6-8(11)7-10-4-2-1-3-5-10/h8,11H,1-7,9H2
InChIKey
VOQTZJYNVJFIJW-UHFFFAOYSA-N
Compound name
1-amino-3-piperidin-1-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

262
Patents

158.1419 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.149176 138.0
[M+Na]+ 181.131118 141.1
[M-H]- 157.134624 137.1
[M+NH4]+ 176.175723 155.8
[M+K]+ 197.105058 139.7
[M+H-H2O]+ 141.139160 131.3
[M+HCOO]- 203.140101 155.2
[M+CH3COO]- 217.155751 176.5
[M+Na-2H]- 179.116566 141.1
[M]+ 158.14135142 130.8
[M]- 158.14244858 130.8
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