CID 3060389

1-piperazineethanol, 4-(3-amino-4-pyridyl)-

Structural Information

Molecular Formula
C11H18N4O
SMILES
C1CN(CCN1CCO)C2=C(C=NC=C2)N
InChI
InChI=1S/C11H18N4O/c12-10-9-13-2-1-11(10)15-5-3-14(4-6-15)7-8-16/h1-2,9,16H,3-8,12H2
InChIKey
LTUKKXJLQGZJDH-UHFFFAOYSA-N
Compound name
2-[4-(3-aminopyridin-4-yl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.14806 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.15534 153.0
[M+Na]+ 245.13728 158.4
[M-H]- 221.14078 153.1
[M+NH4]+ 240.18188 165.8
[M+K]+ 261.11122 154.4
[M+H-H2O]+ 205.14532 143.5
[M+HCOO]- 267.14626 169.1
[M+CH3COO]- 281.16191 188.3
[M+Na-2H]- 243.12273 157.2
[M]+ 222.14751 146.9
[M]- 222.14861 146.9
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

No patent data available for this compound.