CID 385274

Nsc676385

Structural Information

Molecular Formula
C10H12ClN3O
SMILES
C=C1CC(C1)COC2=CC(=NC(=N2)N)Cl
InChI
InChI=1S/C10H12ClN3O/c1-6-2-7(3-6)5-15-9-4-8(11)13-10(12)14-9/h4,7H,1-3,5H2,(H2,12,13,14)
InChIKey
SSQRIXRMXORZNC-UHFFFAOYSA-N
Compound name
4-chloro-6-[(3-methylidenecyclobutyl)methoxy]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.0669 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07418 145.5
[M+Na]+ 248.05612 153.8
[M-H]- 224.05962 148.8
[M+NH4]+ 243.10072 155.3
[M+K]+ 264.03006 152.1
[M+H-H2O]+ 208.06416 132.7
[M+HCOO]- 270.06510 161.6
[M+CH3COO]- 284.08075 193.5
[M+Na-2H]- 246.04157 149.5
[M]+ 225.06635 154.4
[M]- 225.06745 154.4
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.