CID 34273

Nitrosomethyl-n-hexylamine

Structural Information

Molecular Formula

C₇H₁₆N₂O

SMILES

CCCCCCN(C)N=O

InChI

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

InChIKey

IHGPEUQKUIKKIR-UHFFFAOYSA-N

Compound name

N-hexyl-N-methylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 144.12627 Da
Monoisotopic Mass: 2.5
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]+	145.133546	132.5
[M+Na]+	167.115488	138.4
[M-H]-	143.118994	135.4
[M+NH4]+	162.160093	154.8
[M+K]+	183.089428	140.1
[M+H-H2O]+	127.123530	126.5
[M+HCOO]-	189.124471	160.4
[M+CH3COO]-	203.140121	187.2
[M+Na-2H]-	165.100936	139.2
[M]+	144.12572142	136.5
[M]-	144.12681858	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe