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

21
Patents

272.1372 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.144476 162.4
[M+Na]+ 295.126418 166.1
[M-H]- 271.129924 162.7
[M+NH4]+ 290.171023 177.8
[M+K]+ 311.100358 166.2
[M+H-H2O]+ 255.134460 156.3
[M+HCOO]- 317.135401 179.1
[M+CH3COO]- 331.151051 196.1
[M+Na-2H]- 293.111866 161.9
[M]+ 272.13665142 161.9
[M]- 272.13774858 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