CID 13829

N-nitrosodiisobutylamine

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CC(C)CN(CC(C)C)N=O

InChI

InChI=1S/C8H18N2O/c1-7(2)5-10(9-11)6-8(3)4/h7-8H,5-6H2,1-4H3

InChIKey

XLZCLFRMPCBSDI-UHFFFAOYSA-N

Compound name

N,N-bis(2-methylpropyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 62
Patents: 158.1419 Da
Monoisotopic Mass: 2.3
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]+	159.14918	138.4
[M+Na]+	181.13112	143.5
[M-H]-	157.13462	141.3
[M+NH4]+	176.17572	160.0
[M+K]+	197.10506	145.8
[M+H-H2O]+	141.13916	132.4
[M+HCOO]-	203.14010	164.0
[M+CH3COO]-	217.15575	192.0
[M+Na-2H]-	179.11657	142.0
[M]+	158.14135	141.4
[M]-	158.14245	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe