CID 11344811

(e)-n-[(6-chloropyridin-3-yl)methyl]-n'-cyanoethanimidamide

Structural Information

Molecular Formula
C9H9ClN4
SMILES
CC(=NCC1=CN=C(C=C1)Cl)NC#N
InChI
InChI=1S/C9H9ClN4/c1-7(14-6-11)12-4-8-2-3-9(10)13-5-8/h2-3,5H,4H2,1H3,(H,12,14)
InChIKey
AYEAUPRZTZWBBF-UHFFFAOYSA-N
Compound name
N'-[(6-chloro-3-pyridinyl)methyl]-N-cyanoethanimidamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

58
Patents

208.05157 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.058846 146.4
[M+Na]+ 231.040788 155.9
[M-H]- 207.044294 149.0
[M+NH4]+ 226.085393 162.8
[M+K]+ 247.014728 152.1
[M+H-H2O]+ 191.048830 133.0
[M+HCOO]- 253.049771 164.0
[M+CH3COO]- 267.065421 202.3
[M+Na-2H]- 229.026236 152.3
[M]+ 208.05102142 142.5
[M]- 208.05211858 142.5
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