CID 54592577

6-[2-(aminomethyl)pyrrolidin-1-yl]-n-methylpyrimidin-4-amine

Structural Information

Molecular Formula
C10H17N5
SMILES
CNC1=CC(=NC=N1)N2CCCC2CN
InChI
InChI=1S/C10H17N5/c1-12-9-5-10(14-7-13-9)15-4-2-3-8(15)6-11/h5,7-8H,2-4,6,11H2,1H3,(H,12,13,14)
InChIKey
ZECYEEYVUPZUEP-UHFFFAOYSA-N
Compound name
6-[2-(aminomethyl)pyrrolidin-1-yl]-N-methylpyrimidin-4-amine
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 146.7
[M+Na]+ 230.137608 153.1
[M-H]- 206.141114 148.8
[M+NH4]+ 225.182213 162.5
[M+K]+ 246.111548 149.8
[M+H-H2O]+ 190.145650 137.2
[M+HCOO]- 252.146591 167.8
[M+CH3COO]- 266.162241 190.2
[M+Na-2H]- 228.123056 150.8
[M]+ 207.14784142 142.3
[M]- 207.14893858 142.3
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.