CID 72213241

Tert-butyl 2-carbamimidoylmorpholine-4-carboxylate hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₉N₃O₃

SMILES

CC(C)(C)OC(=O)N1CCOC(C1)C(=N)N

InChI

InChI=1S/C10H19N3O3/c1-10(2,3)16-9(14)13-4-5-15-7(6-13)8(11)12/h7H,4-6H2,1-3H3,(H3,11,12)

InChIKey

RHGRPKHFOBHDET-UHFFFAOYSA-N

Compound name

tert-butyl 2-carbamimidoylmorpholine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 229.14264 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]+	230.149916	154.4
[M+Na]+	252.131858	158.2
[M-H]-	228.135364	156.1
[M+NH4]+	247.176463	168.8
[M+K]+	268.105798	158.9
[M+H-H2O]+	212.139900	147.6
[M+HCOO]-	274.140841	171.0
[M+CH3COO]-	288.156491	193.3
[M+Na-2H]-	250.117306	157.4
[M]+	229.14209142	150.3
[M]-	229.14318858	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.