CID 13542

N-nitrosodibutylamine

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CCCCN(CCCC)N=O

InChI

InChI=1S/C8H18N2O/c1-3-5-7-10(9-11)8-6-4-2/h3-8H2,1-2H3

InChIKey

YGJHZCLPZAZIHH-UHFFFAOYSA-N

Compound name

N,N-dibutylnitrous amide

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 128
References: 830
Patents: 158.1419 Da
Monoisotopic Mass: 2.6
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]+	159.149176	137.2
[M+Na]+	181.131118	142.6
[M-H]-	157.134624	139.9
[M+NH4]+	176.175723	158.9
[M+K]+	197.105058	144.0
[M+H-H2O]+	141.139160	130.9
[M+HCOO]-	203.140101	164.7
[M+CH3COO]-	217.155751	190.3
[M+Na-2H]-	179.116566	143.3
[M]+	158.14135142	141.5
[M]-	158.14244858	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe