CID 2727509

1214-75-1

Structural Information

Molecular Formula

C₁₀H₁₁N₃O₄

SMILES

CN(C)C=CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O4/c1-11(2)6-5-8-3-4-9(12(14)15)7-10(8)13(16)17/h3-7H,1-2H3

InChIKey

MHIRUPHZSNZDCI-UHFFFAOYSA-N

Compound name

2-(2,4-dinitrophenyl)-N,N-dimethylethenamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 237.07495 Da
Monoisotopic Mass: 2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe