CID 24904122

2-chloro-n4-ethylpyridine-3,4-diamine

Structural Information

Molecular Formula
C7H10ClN3
SMILES
CCNC1=C(C(=NC=C1)Cl)N
InChI
InChI=1S/C7H10ClN3/c1-2-10-5-3-4-11-7(8)6(5)9/h3-4H,2,9H2,1H3,(H,10,11)
InChIKey
SSKAATGTQVWBEN-UHFFFAOYSA-N
Compound name
2-chloro-4-N-ethylpyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

171.05632 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.063596 134.4
[M+Na]+ 194.045538 143.6
[M-H]- 170.049044 136.5
[M+NH4]+ 189.090143 153.9
[M+K]+ 210.019478 139.6
[M+H-H2O]+ 154.053580 128.6
[M+HCOO]- 216.054521 155.1
[M+CH3COO]- 230.070171 183.1
[M+Na-2H]- 192.030986 141.2
[M]+ 171.05577142 134.2
[M]- 171.05686858 134.2
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