CID 56828412

2-(4-methylpiperazin-1-yl)pyrimidin-5-amine

Structural Information

Molecular Formula
C9H15N5
SMILES
CN1CCN(CC1)C2=NC=C(C=N2)N
InChI
InChI=1S/C9H15N5/c1-13-2-4-14(5-3-13)9-11-6-8(10)7-12-9/h6-7H,2-5,10H2,1H3
InChIKey
IJAHRSPWFZQXTO-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)pyrimidin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

193.13275 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.14003 146.3
[M+Na]+ 216.12197 153.3
[M-H]- 192.12547 146.7
[M+NH4]+ 211.16657 159.6
[M+K]+ 232.09591 149.7
[M+H-H2O]+ 176.13001 136.3
[M+HCOO]- 238.13095 163.0
[M+CH3COO]- 252.14660 156.8
[M+Na-2H]- 214.10742 151.9
[M]+ 193.13220 140.5
[M]- 193.13330 140.5
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