CID 5853650

79476-53-2

Structural Information

Molecular Formula
C10H11N3O4
SMILES
CN(C)/C=C/C1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H11N3O4/c1-11(2)7-6-8-9(12(14)15)4-3-5-10(8)13(16)17/h3-7H,1-2H3/b7-6+
InChIKey
FTGPISCZYQYHPV-VOTSOKGWSA-N
Compound name
(E)-2-(2,6-dinitrophenyl)-N,N-dimethylethenamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

237.07495 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08223 151.5
[M+Na]+ 260.06417 157.1
[M-H]- 236.06767 156.5
[M+NH4]+ 255.10877 167.4
[M+K]+ 276.03811 148.1
[M+H-H2O]+ 220.07221 153.7
[M+HCOO]- 282.07315 178.6
[M+CH3COO]- 296.08880 186.8
[M+Na-2H]- 258.04962 158.9
[M]+ 237.07440 149.5
[M]- 237.07550 149.5
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

patents stripe