CID 91662765

2-{[methyl(pyrrolidin-3-yl)amino]methyl}pyrimidin-4-amine

Structural Information

Molecular Formula
C10H17N5
SMILES
CN(CC1=NC=CC(=N1)N)C2CCNC2
InChI
InChI=1S/C10H17N5/c1-15(8-2-4-12-6-8)7-10-13-5-3-9(11)14-10/h3,5,8,12H,2,4,6-7H2,1H3,(H2,11,13,14)
InChIKey
FCUFTICGJSFUHI-UHFFFAOYSA-N
Compound name
2-[[methyl(pyrrolidin-3-yl)amino]methyl]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.14839 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.155666 146.5
[M+Na]+ 230.137608 151.7
[M-H]- 206.141114 148.5
[M+NH4]+ 225.182213 162.0
[M+K]+ 246.111548 149.0
[M+H-H2O]+ 190.145650 136.9
[M+HCOO]- 252.146591 166.7
[M+CH3COO]- 266.162241 190.0
[M+Na-2H]- 228.123056 150.3
[M]+ 207.14784142 141.1
[M]- 207.14893858 141.1
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.