CID 165759007

6-chloro-5-(1,3-dioxolan-2-yl)pyrimidin-4-amine

Structural Information

Molecular Formula
C7H8ClN3O2
SMILES
C1COC(O1)C2=C(N=CN=C2Cl)N
InChI
InChI=1S/C7H8ClN3O2/c8-5-4(6(9)11-3-10-5)7-12-1-2-13-7/h3,7H,1-2H2,(H2,9,10,11)
InChIKey
DPOQJQSNDHBWIX-UHFFFAOYSA-N
Compound name
6-chloro-5-(1,3-dioxolan-2-yl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.0305 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.03778 140.9
[M+Na]+ 224.01972 150.1
[M-H]- 200.02322 145.7
[M+NH4]+ 219.06432 156.7
[M+K]+ 239.99366 148.7
[M+H-H2O]+ 184.02776 133.5
[M+HCOO]- 246.02870 156.9
[M+CH3COO]- 260.04435 153.9
[M+Na-2H]- 222.00517 146.5
[M]+ 201.02995 141.3
[M]- 201.03105 141.3
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.