CID 213021

160430-64-8

Structural Information

Molecular Formula
C10H11ClN4
SMILES
CC(=NC#N)N(C)CC1=CN=C(C=C1)Cl
InChI
InChI=1S/C10H11ClN4/c1-8(14-7-12)15(2)6-9-3-4-10(11)13-5-9/h3-5H,6H2,1-2H3
InChIKey
WCXDHFDTOYPNIE-UHFFFAOYSA-N
Compound name
N-[(6-chloro-3-pyridinyl)methyl]-N'-cyano-N-methylethanimidamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

689
References

45002
Patents

222.06723 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.074506 150.3
[M+Na]+ 245.056448 159.6
[M-H]- 221.059954 154.1
[M+NH4]+ 240.101053 166.8
[M+K]+ 261.030388 156.6
[M+H-H2O]+ 205.064490 136.5
[M+HCOO]- 267.065431 168.1
[M+CH3COO]- 281.081081 208.1
[M+Na-2H]- 243.041896 155.1
[M]+ 222.06668142 147.9
[M]- 222.06777858 147.9
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