CID 4202112

Brn 1820931

Structural Information

Molecular Formula

C₁₀H₁₃N₃O₃

SMILES

CCCC(=O)NNC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H13N3O3/c1-2-3-10(14)12-11-8-4-6-9(7-5-8)13(15)16/h4-7,11H,2-3H2,1H3,(H,12,14)

InChIKey

RTNSKWDZWDAZIN-UHFFFAOYSA-N

Compound name

N'-(4-nitrophenyl)butanehydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 223.09569 Da
Monoisotopic Mass: 2.1
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]+	224.10297	146.2
[M+Na]+	246.08491	151.1
[M-H]-	222.08841	149.7
[M+NH4]+	241.12951	162.8
[M+K]+	262.05885	145.5
[M+H-H2O]+	206.09295	143.8
[M+HCOO]-	268.09389	173.0
[M+CH3COO]-	282.10954	187.5
[M+Na-2H]-	244.07036	153.6
[M]+	223.09514	144.1
[M]-	223.09624	144.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe