CID 39733682

1146298-55-6

Structural Information

Molecular Formula

C₉H₁₉N₃O₃

SMILES

CC(C)(C)OC(=O)NCCNC(=O)CN

InChI

InChI=1S/C9H19N3O3/c1-9(2,3)15-8(14)12-5-4-11-7(13)6-10/h4-6,10H2,1-3H3,(H,11,13)(H,12,14)

InChIKey

JTXNBJZNGMAVNX-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-[(2-aminoacetyl)amino]ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 217.14264 Da
Monoisotopic Mass: -0.7
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]+	218.149916	151.3
[M+Na]+	240.131858	155.4
[M-H]-	216.135364	150.9
[M+NH4]+	235.176463	168.7
[M+K]+	256.105798	155.7
[M+H-H2O]+	200.139900	145.3
[M+HCOO]-	262.140841	174.1
[M+CH3COO]-	276.156491	194.2
[M+Na-2H]-	238.117306	154.7
[M]+	217.14209142	150.9
[M]-	217.14318858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe