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]+ 210.13494 146.0
[M+Na]+ 232.11688 153.7
[M-H]- 208.12038 148.3
[M+NH4]+ 227.16148 161.7
[M+K]+ 248.09082 150.9
[M+H-H2O]+ 192.12492 137.0
[M+HCOO]- 254.12586 167.1
[M+CH3COO]- 268.14151 190.0
[M+Na-2H]- 230.10233 149.0
[M]+ 209.12711 142.1
[M]- 209.12821 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.