CID 21447

Di-sec-butylnitrosamine

Structural Information

Molecular Formula

C₈H₁₈N₂O

SMILES

CCC(C)N(C(C)CC)N=O

InChI

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

InChIKey

FXKDQKMIRMWEBC-UHFFFAOYSA-N

Compound name

N,N-di(butan-2-yl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 158.1419 Da
Monoisotopic Mass: 2.8
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	137.8
[M+Na]+	181.13112	146.0
[M+NH4]+	176.17572	145.3
[M+K]+	197.10506	141.6
[M-H]-	157.13462	138.5
[M+Na-2H]-	179.11657	141.3
[M]+	158.14135	138.8
[M]-	158.14245	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe