CID 385275

Nsc676386

Structural Information

Molecular Formula
C10H14ClN3O3
SMILES
C1C(CC1(CO)O)COC2=CC(=NC(=N2)N)Cl
InChI
InChI=1S/C10H14ClN3O3/c11-7-1-8(14-9(12)13-7)17-4-6-2-10(16,3-6)5-15/h1,6,15-16H,2-5H2,(H2,12,13,14)
InChIKey
JJCVFPXTRCUEAO-UHFFFAOYSA-N
Compound name
3-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]-1-(hydroxymethyl)cyclobutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.07236 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.07964 153.2
[M+Na]+ 282.06158 160.7
[M-H]- 258.06508 154.2
[M+NH4]+ 277.10618 162.2
[M+K]+ 298.03552 159.4
[M+H-H2O]+ 242.06962 141.7
[M+HCOO]- 304.07056 166.6
[M+CH3COO]- 318.08621 193.4
[M+Na-2H]- 280.04703 157.5
[M]+ 259.07181 162.3
[M]- 259.07291 162.3
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.