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]+ 210.13494 146.4
[M+Na]+ 232.11688 153.7
[M-H]- 208.12038 147.3
[M+NH4]+ 227.16148 161.4
[M+K]+ 248.09082 150.0
[M+H-H2O]+ 192.12492 137.6
[M+HCOO]- 254.12586 165.9
[M+CH3COO]- 268.14151 187.7
[M+Na-2H]- 230.10233 148.9
[M]+ 209.12711 140.6
[M]- 209.12821 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.