CID 43462446

Methyl 4-(3-aminopyridin-4-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C11H16N4O2
SMILES
COC(=O)N1CCN(CC1)C2=C(C=NC=C2)N
InChI
InChI=1S/C11H16N4O2/c1-17-11(16)15-6-4-14(5-7-15)10-2-3-13-8-9(10)12/h2-3,8H,4-7,12H2,1H3
InChIKey
ULGUMKBJECJVBC-UHFFFAOYSA-N
Compound name
methyl 4-(3-amino-4-pyridinyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.12732 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.134596 155.1
[M+Na]+ 259.116538 161.0
[M-H]- 235.120044 156.8
[M+NH4]+ 254.161143 167.9
[M+K]+ 275.090478 158.4
[M+H-H2O]+ 219.124580 145.4
[M+HCOO]- 281.125521 172.2
[M+CH3COO]- 295.141171 191.7
[M+Na-2H]- 257.101986 158.6
[M]+ 236.12677142 150.8
[M]- 236.12786858 150.8
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

No patent data available for this compound.