CID 1484246

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

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

CN(C)C=CC1=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

InChIKey

ADLFDROCPXPTRU-UHFFFAOYSA-N

Compound name

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]+	243.112806	152.9
[M+Na]+	265.094748	159.5
[M-H]-	241.098254	158.7
[M+NH4]+	260.139353	171.0
[M+K]+	281.068688	152.7
[M+H-H2O]+	225.102790	150.4
[M+HCOO]-	287.103731	178.4
[M+CH3COO]-	301.119381	194.1
[M+Na-2H]-	263.080196	160.7
[M]+	242.10498142	152.7
[M]-	242.10607858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe