CID 7018756

(s)-2-((tert-butoxycarbonyl)amino)-5-methoxy-5-oxopentanoic acid

Structural Information

Molecular Formula
C11H19NO6
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)OC)C(=O)O
InChI
InChI=1S/C11H19NO6/c1-11(2,3)18-10(16)12-7(9(14)15)5-6-8(13)17-4/h7H,5-6H2,1-4H3,(H,12,16)(H,14,15)/t7-/m0/s1
InChIKey
OHYMUFVCRVPMEY-ZETCQYMHSA-N
Compound name
(2S)-5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

447
Patents

261.12125 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.12853 158.3
[M+Na]+ 284.11047 162.6
[M-H]- 260.11397 156.9
[M+NH4]+ 279.15507 173.9
[M+K]+ 300.08441 163.9
[M+H-H2O]+ 244.11851 153.1
[M+HCOO]- 306.11945 176.7
[M+CH3COO]- 320.13510 195.3
[M+Na-2H]- 282.09592 159.0
[M]+ 261.12070 162.0
[M]- 261.12180 162.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe