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-aminopyridin-4-yl)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]+ 237.13460 155.1
[M+Na]+ 259.11654 161.0
[M-H]- 235.12004 156.8
[M+NH4]+ 254.16114 167.9
[M+K]+ 275.09048 158.4
[M+H-H2O]+ 219.12458 145.4
[M+HCOO]- 281.12552 172.2
[M+CH3COO]- 295.14117 191.7
[M+Na-2H]- 257.10199 158.6
[M]+ 236.12677 150.8
[M]- 236.12787 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.