CID 17606464

4-chloro-n,6-dimethylpyrimidin-2-amine

Structural Information

Molecular Formula
C6H8ClN3
SMILES
CC1=CC(=NC(=N1)NC)Cl
InChI
InChI=1S/C6H8ClN3/c1-4-3-5(7)10-6(8-2)9-4/h3H,1-2H3,(H,8,9,10)
InChIKey
XNVNMEQYZOCXNK-UHFFFAOYSA-N
Compound name
4-chloro-N,6-dimethylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

157.04068 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04796 129.2
[M+Na]+ 180.02990 139.6
[M-H]- 156.03340 130.5
[M+NH4]+ 175.07450 148.6
[M+K]+ 196.00384 136.2
[M+H-H2O]+ 140.03794 122.9
[M+HCOO]- 202.03888 148.4
[M+CH3COO]- 216.05453 178.5
[M+Na-2H]- 178.01535 137.4
[M]+ 157.04013 130.8
[M]- 157.04123 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