CID 117608244

1629681-12-4

Structural Information

Molecular Formula
C12H20N2O5
SMILES
CC(C)(C)OC(=O)N[C@@H](CN1CCCC1=O)C(=O)O
InChI
InChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)13-8(10(16)17)7-14-6-4-5-9(14)15/h8H,4-7H2,1-3H3,(H,13,18)(H,16,17)/t8-/m0/s1
InChIKey
CNPZXKIQKHKDHD-QMMMGPOBSA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

272.1372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14448 161.9
[M+Na]+ 295.12642 165.9
[M+NH4]+ 290.17102 165.0
[M+K]+ 311.10036 167.3
[M-H]- 271.12992 158.0
[M+Na-2H]- 293.11187 160.9
[M]+ 272.13665 160.5
[M]- 272.13775 160.5
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

patents stripe