CID 593843

2858-20-0

Structural Information

Molecular Formula
C6H8ClN3
SMILES
CC1=C(C(=NC(=N1)C)N)Cl
InChI
InChI=1S/C6H8ClN3/c1-3-5(7)6(8)10-4(2)9-3/h1-2H3,(H2,8,9,10)
InChIKey
BKFCZKYCVQQMCX-UHFFFAOYSA-N
Compound name
5-chloro-2,6-dimethylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

97
Patents

157.04068 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.047956 129.8
[M+Na]+ 180.029898 141.2
[M-H]- 156.033404 131.1
[M+NH4]+ 175.074503 149.2
[M+K]+ 196.003838 137.5
[M+H-H2O]+ 140.037940 123.9
[M+HCOO]- 202.038881 148.4
[M+CH3COO]- 216.054531 179.0
[M+Na-2H]- 178.015346 136.2
[M]+ 157.04013142 130.8
[M]- 157.04122858 130.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe