CID 768955

130623-81-3

Structural Information

Molecular Formula
C6H9ClN4
SMILES
CN(C)C1=C(C(=NC=N1)Cl)N
InChI
InChI=1S/C6H9ClN4/c1-11(2)6-4(8)5(7)9-3-10-6/h3H,8H2,1-2H3
InChIKey
RFKXBMROGCCOFS-UHFFFAOYSA-N
Compound name
6-chloro-4-N,4-N-dimethylpyrimidine-4,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

172.05157 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05885 134.0
[M+Na]+ 195.04079 143.8
[M-H]- 171.04429 136.4
[M+NH4]+ 190.08539 152.9
[M+K]+ 211.01473 141.3
[M+H-H2O]+ 155.04883 127.2
[M+HCOO]- 217.04977 154.2
[M+CH3COO]- 231.06542 186.2
[M+Na-2H]- 193.02624 140.8
[M]+ 172.05102 135.3
[M]- 172.05212 135.3
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

No patent data available for this compound.