CID 10997737

Ec 600-261-6

Structural Information

Molecular Formula
C8H12ClN3
SMILES
C1=CC(=NC=C1CNCCN)Cl
InChI
InChI=1S/C8H12ClN3/c9-8-2-1-7(6-12-8)5-11-4-3-10/h1-2,6,11H,3-5,10H2
InChIKey
HKSZSGAPTPXYTI-UHFFFAOYSA-N
Compound name
N'-[(6-chloro-3-pyridinyl)methyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

193
Patents

185.07198 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.07926 138.5
[M+Na]+ 208.06120 146.3
[M-H]- 184.06470 140.0
[M+NH4]+ 203.10580 157.1
[M+K]+ 224.03514 142.0
[M+H-H2O]+ 168.06924 132.2
[M+HCOO]- 230.07018 158.8
[M+CH3COO]- 244.08583 185.0
[M+Na-2H]- 206.04665 145.6
[M]+ 185.07143 138.3
[M]- 185.07253 138.3
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

No patent data available for this compound.