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

10
Patents

171.05632 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.06360 134.4
[M+Na]+ 194.04554 143.6
[M-H]- 170.04904 136.5
[M+NH4]+ 189.09014 153.9
[M+K]+ 210.01948 139.6
[M+H-H2O]+ 154.05358 128.6
[M+HCOO]- 216.05452 155.1
[M+CH3COO]- 230.07017 183.1
[M+Na-2H]- 192.03099 141.2
[M]+ 171.05577 134.2
[M]- 171.05687 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