CID 410428

99669-44-0

Structural Information

Molecular Formula
C7H11N3
SMILES
C1=CC=NC(=C1)NCCN
InChI
InChI=1S/C7H11N3/c8-4-6-10-7-3-1-2-5-9-7/h1-3,5H,4,6,8H2,(H,9,10)
InChIKey
TYHXIJJQIJKFSO-UHFFFAOYSA-N
Compound name
N'-pyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

649
Patents

137.09529 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.102566 126.8
[M+Na]+ 160.084508 133.4
[M-H]- 136.088014 128.5
[M+NH4]+ 155.129113 146.3
[M+K]+ 176.058448 131.4
[M+H-H2O]+ 120.092550 119.9
[M+HCOO]- 182.093491 152.2
[M+CH3COO]- 196.109141 176.9
[M+Na-2H]- 158.069956 135.9
[M]+ 137.09474142 124.0
[M]- 137.09583858 124.0
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