CID 74909

Decyl nitrate

Structural Information

Molecular Formula

C₁₀H₂₁NO₃

SMILES

CCCCCCCCCCO[N+](=O)[O-]

InChI

InChI=1S/C10H21NO3/c1-2-3-4-5-6-7-8-9-10-14-11(12)13/h2-10H2,1H3

InChIKey

UEFBRXQBUTYIJI-UHFFFAOYSA-N

Compound name

decyl nitrate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 674
Patents: 203.15215 Da
Monoisotopic Mass: 5.0
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]+	204.15943	151.1
[M+Na]+	226.14137	156.0
[M-H]-	202.14487	150.7
[M+NH4]+	221.18597	169.7
[M+K]+	242.11531	151.3
[M+H-H2O]+	186.14941	150.1
[M+HCOO]-	248.15035	175.2
[M+CH3COO]-	262.16600	182.8
[M+Na-2H]-	224.12682	156.7
[M]+	203.15160	154.3
[M]-	203.15270	154.3

Literature stripe

literature stripe

Patent stripe

patents stripe