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]+ 208.15567 146.7
[M+Na]+ 230.13761 153.1
[M-H]- 206.14111 148.8
[M+NH4]+ 225.18221 162.5
[M+K]+ 246.11155 149.8
[M+H-H2O]+ 190.14565 137.2
[M+HCOO]- 252.14659 167.8
[M+CH3COO]- 266.16224 190.2
[M+Na-2H]- 228.12306 150.8
[M]+ 207.14784 142.3
[M]- 207.14894 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.