CID 86723230

1614246-24-0

Structural Information

Molecular Formula
C6H9ClN4
SMILES
CCNC1=C(C(=CN=N1)Cl)N
InChI
InChI=1S/C6H9ClN4/c1-2-9-6-5(8)4(7)3-10-11-6/h3H,2H2,1H3,(H2,8,10)(H,9,11)
InChIKey
YCKYFDSKHUYUJC-UHFFFAOYSA-N
Compound name
5-chloro-3-N-ethylpyridazine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

172.05157 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05885 134.2
[M+Na]+ 195.04079 143.8
[M-H]- 171.04429 135.1
[M+NH4]+ 190.08539 152.4
[M+K]+ 211.01473 140.0
[M+H-H2O]+ 155.04883 127.6
[M+HCOO]- 217.04977 153.9
[M+CH3COO]- 231.06542 182.8
[M+Na-2H]- 193.02624 141.7
[M]+ 172.05102 134.1
[M]- 172.05212 134.1
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