CID 98768

Boc-val-osu

Structural Information

Molecular Formula
C14H22N2O6
SMILES
CC(C)[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C14H22N2O6/c1-8(2)11(15-13(20)21-14(3,4)5)12(19)22-16-9(17)6-7-10(16)18/h8,11H,6-7H2,1-5H3,(H,15,20)/t11-/m0/s1
InChIKey
POBDBYGSGKMZPH-NSHDSACASA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) (2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

401
Patents

314.1478 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.15508 170.5
[M+Na]+ 337.13702 174.3
[M+NH4]+ 332.18162 172.7
[M+K]+ 353.11096 176.5
[M-H]- 313.14052 166.2
[M+Na-2H]- 335.12247 168.7
[M]+ 314.14725 168.9
[M]- 314.14835 168.9
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