CID 95975

31058-81-8

Structural Information

Molecular Formula
C6H8ClN3
SMILES
CN(C)C1=NC(=NC=C1)Cl
InChI
InChI=1S/C6H8ClN3/c1-10(2)5-3-4-8-6(7)9-5/h3-4H,1-2H3
InChIKey
MTEQLYDOCFPCAX-UHFFFAOYSA-N
Compound name
2-chloro-N,N-dimethylpyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

144
Patents

157.04068 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.04796 128.4
[M+Na]+ 180.02990 142.6
[M+NH4]+ 175.07450 137.4
[M+K]+ 196.00384 135.9
[M-H]- 156.03340 130.8
[M+Na-2H]- 178.01535 136.9
[M]+ 157.04013 131.3
[M]- 157.04123 131.3
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

patents stripe