CID 15556995

55921-65-8

Structural Information

Molecular Formula
C8H13N5O
SMILES
C1CCN(C1)C2=NC(=N)N(C(=C2)N)O
InChI
InChI=1S/C8H13N5O/c9-6-5-7(11-8(10)13(6)14)12-3-1-2-4-12/h5,10,14H,1-4,9H2
InChIKey
JOITXEDSRYVTLJ-UHFFFAOYSA-N
Compound name
3-hydroxy-2-imino-6-pyrrolidin-1-ylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

27
Patents

195.11201 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.11929 141.6
[M+Na]+ 218.10123 149.6
[M-H]- 194.10473 143.2
[M+NH4]+ 213.14583 157.4
[M+K]+ 234.07517 145.8
[M+H-H2O]+ 178.10927 133.1
[M+HCOO]- 240.11021 162.3
[M+CH3COO]- 254.12586 184.5
[M+Na-2H]- 216.08668 145.5
[M]+ 195.11146 135.8
[M]- 195.11256 135.8
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

patents stripe