CID 135511025

2-amino-4-[[2-(hydroxymethyl)cyclopropyl]methylamino]-5-nitroso-1h-pyrimidin-6-one

Structural Information

Molecular Formula
C9H13N5O3
SMILES
C1C(C1CO)CNC2=C(C(=O)NC(=N2)N)N=O
InChI
InChI=1S/C9H13N5O3/c10-9-12-7(6(14-17)8(16)13-9)11-2-4-1-5(4)3-15/h4-5,15H,1-3H2,(H4,10,11,12,13,16)
InChIKey
PCBOCROAPBASPD-UHFFFAOYSA-N
Compound name
2-amino-4-[[2-(hydroxymethyl)cyclopropyl]methylamino]-5-nitroso-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

239.10184 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10912 153.4
[M+Na]+ 262.09106 163.8
[M-H]- 238.09456 157.6
[M+NH4]+ 257.13566 162.5
[M+K]+ 278.06500 157.9
[M+H-H2O]+ 222.09910 145.6
[M+HCOO]- 284.10004 177.6
[M+CH3COO]- 298.11569 199.8
[M+Na-2H]- 260.07651 158.5
[M]+ 239.10129 155.1
[M]- 239.10239 155.1
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.