CID 13451717

2-n-ethylpyridine-2,3-diamine dihydrochloride

Structural Information

Molecular Formula
C7H11N3
SMILES
CCNC1=C(C=CC=N1)N
InChI
InChI=1S/C7H11N3/c1-2-9-7-6(8)4-3-5-10-7/h3-5H,2,8H2,1H3,(H,9,10)
InChIKey
UQXRQVGWVGDXMS-UHFFFAOYSA-N
Compound name
2-N-ethylpyridine-2,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

104
Patents

137.09529 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.10257 127.2
[M+Na]+ 160.08451 138.8
[M+NH4]+ 155.12911 135.7
[M+K]+ 176.05845 132.7
[M-H]- 136.08801 130.2
[M+Na-2H]- 158.06996 134.7
[M]+ 137.09474 129.5
[M]- 137.09584 129.5
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