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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.15541 164.0
[M+Na]+ 298.13735 166.4
[M-H]- 274.14085 161.9
[M+NH4]+ 293.18195 177.9
[M+K]+ 314.11129 167.2
[M+H-H2O]+ 258.14539 157.6
[M+HCOO]- 320.14633 183.3
[M+CH3COO]- 334.16198 203.4
[M+Na-2H]- 296.12280 163.8
[M]+ 275.14758 163.3
[M]- 275.14868 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.