CID 145912991

2378490-76-5

Structural Information

Molecular Formula
C10H17N5O
SMILES
CNC1=CC(=NC=N1)N2C[C@@H](C[C@@H]2CN)O
InChI
InChI=1S/C10H17N5O/c1-12-9-3-10(14-6-13-9)15-5-8(16)2-7(15)4-11/h3,6-8,16H,2,4-5,11H2,1H3,(H,12,13,14)/t7-,8-/m1/s1
InChIKey
YIUSBPLMFWBALL-HTQZYQBOSA-N
Compound name
(3R,5R)-5-(aminomethyl)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.14331 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.15059 150.5
[M+Na]+ 246.13253 157.3
[M-H]- 222.13603 151.8
[M+NH4]+ 241.17713 165.2
[M+K]+ 262.10647 153.7
[M+H-H2O]+ 206.14057 141.5
[M+HCOO]- 268.14151 170.4
[M+CH3COO]- 282.15716 191.2
[M+Na-2H]- 244.11798 153.5
[M]+ 223.14276 146.1
[M]- 223.14386 146.1
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.