CID 32965

N-propyl-n-butylnitrosamine

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

CCCCN(CCC)N=O

InChI

InChI=1S/C7H16N2O/c1-3-5-7-9(8-10)6-4-2/h3-7H2,1-2H3

InChIKey

SVTBQUKRCVPUHS-UHFFFAOYSA-N

Compound name

N-butyl-N-propylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 144.12627 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]+	145.13355	132.5
[M+Na]+	167.11549	141.6
[M+NH4]+	162.16009	140.5
[M+K]+	183.08943	135.9
[M-H]-	143.11899	133.7
[M+Na-2H]-	165.10094	137.0
[M]+	144.12572	133.8
[M]-	144.12682	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe