CID 1484247

176853-40-0

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

CN(C)/C=C/C1=C(C2=CC=CC=C2C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O2/c1-15(2)10-9-12-8-7-11-5-3-4-6-13(11)14(12)16(17)18/h3-10H,1-2H3/b10-9+

InChIKey

ADLFDROCPXPTRU-MDZDMXLPSA-N

Compound name

(E)-N,N-dimethyl-2-(1-nitronaphthalen-2-yl)ethenamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 242.10553 Da
Monoisotopic Mass: 3.5
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]+	243.11281	152.9
[M+Na]+	265.09475	159.5
[M-H]-	241.09825	158.7
[M+NH4]+	260.13935	171.0
[M+K]+	281.06869	152.7
[M+H-H2O]+	225.10279	150.4
[M+HCOO]-	287.10373	178.4
[M+CH3COO]-	301.11938	194.1
[M+Na-2H]-	263.08020	160.7
[M]+	242.10498	152.7
[M]-	242.10608	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe