CID 7147190

5176-95-4

Structural Information

Molecular Formula
C6H9ClN4
SMILES
CC1=C(C(=NC(=N1)Cl)NC)N
InChI
InChI=1S/C6H9ClN4/c1-3-4(8)5(9-2)11-6(7)10-3/h8H2,1-2H3,(H,9,10,11)
InChIKey
GRKBHWUDUVHOQC-UHFFFAOYSA-N
Compound name
2-chloro-4-N,6-dimethylpyrimidine-4,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.05157 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05885 134.8
[M+Na]+ 195.04079 145.4
[M-H]- 171.04429 136.1
[M+NH4]+ 190.08539 153.3
[M+K]+ 211.01473 141.5
[M+H-H2O]+ 155.04883 128.5
[M+HCOO]- 217.04977 154.5
[M+CH3COO]- 231.06542 184.0
[M+Na-2H]- 193.02624 141.5
[M]+ 172.05102 135.1
[M]- 172.05212 135.1
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.