CID 385204

Nsc676317

Structural Information

Molecular Formula
C11H16N4O2
SMILES
C1CC(C1)(CNC2=NC(=NC=C2C=O)N)CO
InChI
InChI=1S/C11H16N4O2/c12-10-13-4-8(5-16)9(15-10)14-6-11(7-17)2-1-3-11/h4-5,17H,1-3,6-7H2,(H3,12,13,14,15)
InChIKey
PGIGEODLWGCJKC-UHFFFAOYSA-N
Compound name
2-amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.12732 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13460 156.1
[M+Na]+ 259.11654 161.2
[M-H]- 235.12004 158.0
[M+NH4]+ 254.16114 164.9
[M+K]+ 275.09048 161.2
[M+H-H2O]+ 219.12458 142.4
[M+HCOO]- 281.12552 175.7
[M+CH3COO]- 295.14117 195.9
[M+Na-2H]- 257.10199 161.2
[M]+ 236.12677 162.1
[M]- 236.12787 162.1
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.