CID 155792

1-pentanol, 5-(nitrosopentylamino)-

Structural Information

Molecular Formula

C₁₀H₂₂N₂O₂

SMILES

CCCCCN(CCCCCO)N=O

InChI

InChI=1S/C10H22N2O2/c1-2-3-5-8-12(11-14)9-6-4-7-10-13/h13H,2-10H2,1H3

InChIKey

OQMHURVDJAERJL-UHFFFAOYSA-N

Compound name

N-(5-hydroxypentyl)-N-pentylnitrous amide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.16812 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]+	203.175396	149.5
[M+Na]+	225.157338	153.6
[M-H]-	201.160844	150.3
[M+NH4]+	220.201943	168.6
[M+K]+	241.131278	154.0
[M+H-H2O]+	185.165380	142.8
[M+HCOO]-	247.166321	175.1
[M+CH3COO]-	261.181971	195.6
[M+Na-2H]-	223.142786	154.1
[M]+	202.16757142	154.1
[M]-	202.16866858	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.