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

27
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 162.4
[M+Na]+ 295.12642 166.1
[M-H]- 271.12992 162.7
[M+NH4]+ 290.17102 177.8
[M+K]+ 311.10036 166.2
[M+H-H2O]+ 255.13446 156.3
[M+HCOO]- 317.13540 179.1
[M+CH3COO]- 331.15105 196.1
[M+Na-2H]- 293.11187 161.9
[M]+ 272.13665 161.9
[M]- 272.13775 161.9
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