CID 24903729

5-bromo-n4-ethylpyridine-3,4-diamine

Structural Information

Molecular Formula
C7H10BrN3
SMILES
CCNC1=C(C=NC=C1N)Br
InChI
InChI=1S/C7H10BrN3/c1-2-11-7-5(8)3-10-4-6(7)9/h3-4H,2,9H2,1H3,(H,10,11)
InChIKey
GMVUJEJUOUSPCP-UHFFFAOYSA-N
Compound name
5-bromo-4-N-ethylpyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

215.00581 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.01309 136.5
[M+Na]+ 237.99503 147.7
[M-H]- 213.99853 141.3
[M+NH4]+ 233.03963 156.8
[M+K]+ 253.96897 136.0
[M+H-H2O]+ 198.00307 135.0
[M+HCOO]- 260.00401 159.0
[M+CH3COO]- 274.01966 189.3
[M+Na-2H]- 235.98048 144.8
[M]+ 215.00526 152.9
[M]- 215.00636 152.9
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