CID 9834936

90874-19-4

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₄S

SMILES

CCC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)C

InChI

InChI=1S/C10H14N2O4S/c1-4-8-5-6-9(12(13)14)7-10(8)17(15,16)11(2)3/h5-7H,4H2,1-3H3

InChIKey

HMJUDVFKNWNBOI-UHFFFAOYSA-N

Compound name

2-ethyl-N,N-dimethyl-5-nitrobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 258.0674 Da
Monoisotopic Mass: 1.7
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]+	259.07468	152.4
[M+Na]+	281.05662	159.4
[M-H]-	257.06012	157.9
[M+NH4]+	276.10122	169.3
[M+K]+	297.03056	153.7
[M+H-H2O]+	241.06466	150.4
[M+HCOO]-	303.06560	172.9
[M+CH3COO]-	317.08125	192.4
[M+Na-2H]-	279.04207	158.0
[M]+	258.06685	155.0
[M]-	258.06795	155.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe