CID 44152705

2-(nitropropylamino)ethyl nitrate

Structural Information

Molecular Formula

C₅H₁₁N₃O₅

SMILES

CCCN(CCO[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C5H11N3O5/c1-2-3-6(7(9)10)4-5-13-8(11)12/h2-5H2,1H3

InChIKey

CMDDLXHEAXTRQD-UHFFFAOYSA-N

Compound name

2-[nitro(propyl)amino]ethyl nitrate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 193.06987 Da
Monoisotopic Mass: 1.8
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]+	194.07715	140.3
[M+Na]+	216.05909	145.2
[M-H]-	192.06259	141.8
[M+NH4]+	211.10369	182.2
[M+K]+	232.03303	139.0
[M+H-H2O]+	176.06713	143.3
[M+HCOO]-	238.06807	192.4
[M+CH3COO]-	252.08372	178.3
[M+Na-2H]-	214.04454	148.9
[M]+	193.06932	140.2
[M]-	193.07042	140.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe