CID 385206

Nsc676319

Structural Information

Molecular Formula
C10H14ClN3O
SMILES
C1CC(C1)(CNC2=CC(=NC=N2)Cl)CO
InChI
InChI=1S/C10H14ClN3O/c11-8-4-9(14-7-13-8)12-5-10(6-15)2-1-3-10/h4,7,15H,1-3,5-6H2,(H,12,13,14)
InChIKey
CIWXLFYLUODUSJ-UHFFFAOYSA-N
Compound name
[1-[[(6-chloropyrimidin-4-yl)amino]methyl]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.08253 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.08981 145.7
[M+Na]+ 250.07175 152.4
[M-H]- 226.07525 147.8
[M+NH4]+ 245.11635 156.5
[M+K]+ 266.04569 150.9
[M+H-H2O]+ 210.07979 133.7
[M+HCOO]- 272.08073 160.9
[M+CH3COO]- 286.09638 189.8
[M+Na-2H]- 248.05720 152.8
[M]+ 227.08198 154.0
[M]- 227.08308 154.0
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.