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-nitro-4-pyridinyl)-N,N-dimethylethenamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

227.04616 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.053436 146.9
[M+Na]+ 250.035378 155.0
[M-H]- 226.038884 150.6
[M+NH4]+ 245.079983 164.3
[M+K]+ 266.009318 148.2
[M+H-H2O]+ 210.043420 145.3
[M+HCOO]- 272.044361 168.4
[M+CH3COO]- 286.060011 187.9
[M+Na-2H]- 248.020826 153.7
[M]+ 227.04561142 148.6
[M]- 227.04670858 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