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

literature stripe

Patent stripe

patents stripe