CID 385279

Nsc676390

Structural Information

Molecular Formula
C10H14ClN3O2
SMILES
C1CC(C1)(CO)COC2=CC(=NC(=N2)N)Cl
InChI
InChI=1S/C10H14ClN3O2/c11-7-4-8(14-9(12)13-7)16-6-10(5-15)2-1-3-10/h4,15H,1-3,5-6H2,(H2,12,13,14)
InChIKey
SXNXKYNKWRNHMW-UHFFFAOYSA-N
Compound name
[1-[(2-amino-6-chloropyrimidin-4-yl)oxymethyl]cyclobutyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

243.07745 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08473 149.4
[M+Na]+ 266.06667 156.7
[M-H]- 242.07017 151.3
[M+NH4]+ 261.11127 159.5
[M+K]+ 282.04061 155.5
[M+H-H2O]+ 226.07471 137.4
[M+HCOO]- 288.07565 164.1
[M+CH3COO]- 302.09130 192.4
[M+Na-2H]- 264.05212 154.8
[M]+ 243.07690 158.5
[M]- 243.07800 158.5
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

patents stripe