CID 11042527

112257-24-6

Structural Information

Molecular Formula

C₁₀H₁₉N₃O₃

SMILES

CC(C)(C)OC(=O)N1CCNC(C1)C(=O)N

InChI

InChI=1S/C10H19N3O3/c1-10(2,3)16-9(15)13-5-4-12-7(6-13)8(11)14/h7,12H,4-6H2,1-3H3,(H2,11,14)

InChIKey

RNNSDOSONODDLH-UHFFFAOYSA-N

Compound name

tert-butyl 3-carbamoylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 229.14264 Da
Monoisotopic Mass: -0.6
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]+	230.14992	154.7
[M+Na]+	252.13186	158.9
[M-H]-	228.13536	153.0
[M+NH4]+	247.17646	168.7
[M+K]+	268.10580	157.7
[M+H-H2O]+	212.13990	147.9
[M+HCOO]-	274.14084	168.4
[M+CH3COO]-	288.15649	188.4
[M+Na-2H]-	250.11731	156.1
[M]+	229.14209	149.4
[M]-	229.14319	149.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe