CID 25808

13256-15-0

Structural Information

Molecular Formula

C₇H₁₃N₃O₃

SMILES

CCOC(=O)N1CCN(CC1)N=O

InChI

InChI=1S/C7H13N3O3/c1-2-13-7(11)9-3-5-10(8-12)6-4-9/h2-6H2,1H3

InChIKey

OYHRVILJSHWJAE-UHFFFAOYSA-N

Compound name

ethyl 4-nitrosopiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 0
Patents: 187.09569 Da
Monoisotopic Mass: 0.2
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]+	188.10297	139.2
[M+Na]+	210.08491	145.2
[M-H]-	186.08841	140.9
[M+NH4]+	205.12951	156.4
[M+K]+	226.05885	145.9
[M+H-H2O]+	170.09295	131.3
[M+HCOO]-	232.09389	160.1
[M+CH3COO]-	246.10954	184.3
[M+Na-2H]-	208.07036	144.5
[M]+	187.09514	138.8
[M]-	187.09624	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe