CID 4712471

1-(2-aminoethyl)piperidin-3-ol

Structural Information

Molecular Formula
C7H16N2O
SMILES
C1CC(CN(C1)CCN)O
InChI
InChI=1S/C7H16N2O/c8-3-5-9-4-1-2-7(10)6-9/h7,10H,1-6,8H2
InChIKey
BJPWBQHXJAUDQL-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)piperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

144.12627 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.13355 133.0
[M+Na]+ 167.11549 137.7
[M-H]- 143.11899 132.6
[M+NH4]+ 162.16009 151.8
[M+K]+ 183.08943 136.1
[M+H-H2O]+ 127.12353 126.7
[M+HCOO]- 189.12447 151.6
[M+CH3COO]- 203.14012 173.7
[M+Na-2H]- 165.10094 137.2
[M]+ 144.12572 126.5
[M]- 144.12682 126.5
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

patents stripe