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]+ 208.15567 150.6
[M+Na]+ 230.13761 157.1
[M-H]- 206.14111 150.8
[M+NH4]+ 225.18221 163.4
[M+K]+ 246.11155 153.3
[M+H-H2O]+ 190.14565 140.4
[M+HCOO]- 252.14659 167.0
[M+CH3COO]- 266.16224 160.7
[M+Na-2H]- 228.12306 155.7
[M]+ 207.14784 145.1
[M]- 207.14894 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.