CID 205584

18260-92-9

Structural Information

Molecular Formula
C6H8ClN3
SMILES
CC1=C(N=C(N=C1Cl)C)N
InChI
InChI=1S/C6H8ClN3/c1-3-5(7)9-4(2)10-6(3)8/h1-2H3,(H2,8,9,10)
InChIKey
LNSWUPHSSBNJIK-UHFFFAOYSA-N
Compound name
6-chloro-2,5-dimethylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

157.04068 Da
Monoisotopic Mass

1.6
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

No literature data available for this compound.

Patent stripe

patents stripe