CID 132347079

5-{[(tert-butoxy)carbonyl]amino}-2-(carbamoylamino)pentanoic acid

Structural Information

Molecular Formula

C₁₁H₂₁N₃O₅

SMILES

CC(C)(C)OC(=O)NCCCC(C(=O)O)NC(=O)N

InChI

InChI=1S/C11H21N3O5/c1-11(2,3)19-10(18)13-6-4-5-7(8(15)16)14-9(12)17/h7H,4-6H2,1-3H3,(H,13,18)(H,15,16)(H3,12,14,17)

InChIKey

KJNSVMYVVBHHIR-UHFFFAOYSA-N

Compound name

2-(carbamoylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 275.14813 Da
Monoisotopic Mass: 0.0
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]+	276.155406	164.0
[M+Na]+	298.137348	166.4
[M-H]-	274.140854	161.9
[M+NH4]+	293.181953	177.9
[M+K]+	314.111288	167.2
[M+H-H2O]+	258.145390	157.6
[M+HCOO]-	320.146331	183.3
[M+CH3COO]-	334.161981	203.4
[M+Na-2H]-	296.122796	163.8
[M]+	275.14758142	163.3
[M]-	275.14867858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.