CID 292275

78701-56-1

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₄

SMILES

CCCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC

InChI

InChI=1S/C11H14N2O4/c1-3-4-11(14)12-9-6-5-8(13(15)16)7-10(9)17-2/h5-7H,3-4H2,1-2H3,(H,12,14)

InChIKey

QYTAXIIQSIQLGK-UHFFFAOYSA-N

Compound name

N-(2-methoxy-4-nitrophenyl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 238.09535 Da
Monoisotopic Mass: 2.0
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]+	239.10263	151.0
[M+Na]+	261.08457	162.3
[M+NH4]+	256.12917	157.6
[M+K]+	277.05851	159.9
[M-H]-	237.08807	153.6
[M+Na-2H]-	259.07002	155.8
[M]+	238.09480	153.0
[M]-	238.09590	153.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe