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

57
Patents

208.05157 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05885 146.4
[M+Na]+ 231.04079 155.9
[M-H]- 207.04429 149.0
[M+NH4]+ 226.08539 162.8
[M+K]+ 247.01473 152.1
[M+H-H2O]+ 191.04883 133.0
[M+HCOO]- 253.04977 164.0
[M+CH3COO]- 267.06542 202.3
[M+Na-2H]- 229.02624 152.3
[M]+ 208.05102 142.5
[M]- 208.05212 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.