CID 6163756

142078-36-2

Structural Information

Molecular Formula
C9H10ClN3O2
SMILES
CN(C)/C=C/C1=CC(=NC=C1[N+](=O)[O-])Cl
InChI
InChI=1S/C9H10ClN3O2/c1-12(2)4-3-7-5-9(10)11-6-8(7)13(14)15/h3-6H,1-2H3/b4-3+
InChIKey
ZKXSBZKRONWVMK-ONEGZZNKSA-N
Compound name
(E)-2-(2-chloro-5-nitropyridin-4-yl)-N,N-dimethylethenamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

227.04616 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.05344 146.9
[M+Na]+ 250.03538 155.0
[M-H]- 226.03888 150.6
[M+NH4]+ 245.07998 164.3
[M+K]+ 266.00932 148.2
[M+H-H2O]+ 210.04342 145.3
[M+HCOO]- 272.04436 168.4
[M+CH3COO]- 286.06001 187.9
[M+Na-2H]- 248.02083 153.7
[M]+ 227.04561 148.6
[M]- 227.04671 148.6
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

patents stripe