CID 186984

78619-31-5

Structural Information

Molecular Formula

C₈H₁₈N₂O₂

SMILES

CCCCN(C(CCC)O)N=O

InChI

InChI=1S/C8H18N2O2/c1-3-5-7-10(9-12)8(11)6-4-2/h8,11H,3-7H2,1-2H3

InChIKey

QBBVUPNWYMMECP-UHFFFAOYSA-N

Compound name

N-butyl-N-(1-hydroxybutyl)nitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 174.13683 Da
Monoisotopic Mass: 2.2
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]+	175.14411	141.2
[M+Na]+	197.12605	146.0
[M-H]-	173.12955	142.5
[M+NH4]+	192.17065	161.5
[M+K]+	213.09999	147.4
[M+H-H2O]+	157.13409	135.0
[M+HCOO]-	219.13503	166.5
[M+CH3COO]-	233.15068	190.4
[M+Na-2H]-	195.11150	145.5
[M]+	174.13628	144.4
[M]-	174.13738	144.4

Literature stripe

literature stripe

Patent stripe

patents stripe