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
4
Annotation Hits

0
References

157
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 128.5
[M+Na]+ 180.029898 138.2
[M-H]- 156.033404 131.0
[M+NH4]+ 175.074503 148.2
[M+K]+ 196.003838 136.1
[M+H-H2O]+ 140.037940 121.7
[M+HCOO]- 202.038881 148.2
[M+CH3COO]- 216.054531 180.9
[M+Na-2H]- 178.015346 136.9
[M]+ 157.04013142 131.0
[M]- 157.04122858 131.0
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