CID 61279

1854-23-5

Structural Information

Molecular Formula

C₁₃H₂₅N₃O₄

SMILES

CCC(CN1CCOCC1)(CN2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H25N3O4/c1-2-13(16(17)18,11-14-3-7-19-8-4-14)12-15-5-9-20-10-6-15/h2-12H2,1H3

InChIKey

XPGDDCOXMUFUCB-UHFFFAOYSA-N

Compound name

4-[2-(morpholin-4-ylmethyl)-2-nitrobutyl]morpholine

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 454
Patents: 287.1845 Da
Monoisotopic Mass: 0.1
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]+	288.19178	168.4
[M+Na]+	310.17372	168.1
[M-H]-	286.17722	171.2
[M+NH4]+	305.21832	176.6
[M+K]+	326.14766	165.0
[M+H-H2O]+	270.18176	163.6
[M+HCOO]-	332.18270	179.9
[M+CH3COO]-	346.19835	193.1
[M+Na-2H]-	308.15917	175.4
[M]+	287.18395	161.8
[M]-	287.18505	161.8

Literature stripe

literature stripe

Patent stripe

patents stripe