CID 385194

Nsc676309

Structural Information

Molecular Formula
C10H16N4O
SMILES
C1CC(C1)(CNC2=NC(=NC=C2)N)CO
InChI
InChI=1S/C10H16N4O/c11-9-12-5-2-8(14-9)13-6-10(7-15)3-1-4-10/h2,5,15H,1,3-4,6-7H2,(H3,11,12,13,14)
InChIKey
ZEXNAJYBXQZTRQ-UHFFFAOYSA-N
Compound name
[1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

208.13242 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.13970 149.1
[M+Na]+ 231.12164 153.8
[M-H]- 207.12514 150.9
[M+NH4]+ 226.16624 159.0
[M+K]+ 247.09558 154.0
[M+H-H2O]+ 191.12968 135.6
[M+HCOO]- 253.13062 168.8
[M+CH3COO]- 267.14627 190.5
[M+Na-2H]- 229.10709 155.5
[M]+ 208.13187 153.8
[M]- 208.13297 153.8
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