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

literature stripe

Patent stripe

patents stripe