CID 145909718

Rac-4-[(3r,4s)-3-amino-4-methoxypyrrolidin-1-yl]pyrimidin-2-amine dihydrochloride

Structural Information

Molecular Formula
C9H15N5O
SMILES
CO[C@@H]1CN(C[C@@H]1N)C2=NC(=NC=C2)N
InChI
InChI=1S/C9H15N5O/c1-15-7-5-14(4-6(7)10)8-2-3-12-9(11)13-8/h2-3,6-7H,4-5,10H2,1H3,(H2,11,12,13)/t6-,7+/m0/s1
InChIKey
CTTCWPKRKYZTCI-NKWVEPMBSA-N
Compound name
4-[(3S,4R)-3-amino-4-methoxypyrrolidin-1-yl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.12766 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.134936 146.0
[M+Na]+ 232.116878 153.7
[M-H]- 208.120384 148.3
[M+NH4]+ 227.161483 161.7
[M+K]+ 248.090818 150.9
[M+H-H2O]+ 192.124920 137.0
[M+HCOO]- 254.125861 167.1
[M+CH3COO]- 268.141511 190.0
[M+Na-2H]- 230.102326 149.0
[M]+ 209.12711142 142.1
[M]- 209.12820858 142.1
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.