CID 145915502

2402789-82-4

Structural Information

Molecular Formula
C9H15N5O
SMILES
C1[C@H](CN([C@H]1CN)C2=NC=NC(=C2)N)O
InChI
InChI=1S/C9H15N5O/c10-3-6-1-7(15)4-14(6)9-2-8(11)12-5-13-9/h2,5-7,15H,1,3-4,10H2,(H2,11,12,13)/t6-,7-/m1/s1
InChIKey
IHSAYHQZQMMSRB-RNFRBKRXSA-N
Compound name
(3R,5R)-5-(aminomethyl)-1-(6-aminopyrimidin-4-yl)pyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.12766 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.134936 146.4
[M+Na]+ 232.116878 153.7
[M-H]- 208.120384 147.3
[M+NH4]+ 227.161483 161.4
[M+K]+ 248.090818 150.0
[M+H-H2O]+ 192.124920 137.6
[M+HCOO]- 254.125861 165.9
[M+CH3COO]- 268.141511 187.7
[M+Na-2H]- 230.102326 148.9
[M]+ 209.12711142 140.6
[M]- 209.12820858 140.6
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.