CID 378780

Nsc661955

Structural Information

Molecular Formula
C11H15N3O2
SMILES
C1CC2(CC2C1N3C=CC(=NC3=O)N)CO
InChI
InChI=1S/C11H15N3O2/c12-9-2-4-14(10(16)13-9)8-1-3-11(6-15)5-7(8)11/h2,4,7-8,15H,1,3,5-6H2,(H2,12,13,16)
InChIKey
IBFMSALMSOQNAA-UHFFFAOYSA-N
Compound name
4-amino-1-[5-(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.11642 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.12370 151.5
[M+Na]+ 244.10564 162.8
[M-H]- 220.10914 156.0
[M+NH4]+ 239.15024 166.3
[M+K]+ 260.07958 157.6
[M+H-H2O]+ 204.11368 145.3
[M+HCOO]- 266.11462 171.3
[M+CH3COO]- 280.13027 163.5
[M+Na-2H]- 242.09109 156.2
[M]+ 221.11587 152.7
[M]- 221.11697 152.7
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.