CID 62749499

1343120-12-6

Structural Information

Molecular Formula
C10H17N5
SMILES
CN1CCN(CC1)C2=NC=CC(=N2)CN
InChI
InChI=1S/C10H17N5/c1-14-4-6-15(7-5-14)10-12-3-2-9(8-11)13-10/h2-3H,4-8,11H2,1H3
InChIKey
BIQCBPGYBSLAOL-UHFFFAOYSA-N
Compound name
[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.14839 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.155666 150.6
[M+Na]+ 230.137608 157.1
[M-H]- 206.141114 150.8
[M+NH4]+ 225.182213 163.4
[M+K]+ 246.111548 153.3
[M+H-H2O]+ 190.145650 140.4
[M+HCOO]- 252.146591 167.0
[M+CH3COO]- 266.162241 160.7
[M+Na-2H]- 228.123056 155.7
[M]+ 207.14784142 145.1
[M]- 207.14893858 145.1
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.