CID 27825

N-butyl-n-pentylnitrous amide

Structural Information

Molecular Formula

C₉H₂₀N₂O

SMILES

CCCCCN(CCCC)N=O

InChI

InChI=1S/C9H20N2O/c1-3-5-7-9-11(10-12)8-6-4-2/h3-9H2,1-2H3

InChIKey

PGJREAGDCYDOOF-UHFFFAOYSA-N

Compound name

N-butyl-N-pentylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 172.15756 Da
Monoisotopic Mass: 3.2
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]+	173.16484	141.8
[M+Na]+	195.14678	146.9
[M-H]-	171.15028	144.3
[M+NH4]+	190.19138	163.0
[M+K]+	211.12072	148.0
[M+H-H2O]+	155.15482	135.4
[M+HCOO]-	217.15576	169.0
[M+CH3COO]-	231.17141	193.3
[M+Na-2H]-	193.13223	147.4
[M]+	172.15701	146.5
[M]-	172.15811	146.5

Literature stripe

literature stripe

Patent stripe

patents stripe