CID 107319305

1-acetyl-3-{[(tert-butoxy)carbonyl]amino}pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C12H20N2O5
SMILES
CC(=O)N1CCC(C1)(C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H20N2O5/c1-8(15)14-6-5-12(7-14,9(16)17)13-10(18)19-11(2,3)4/h5-7H2,1-4H3,(H,13,18)(H,16,17)
InChIKey
ZFUDKZDXBQUVQH-UHFFFAOYSA-N
Compound name
1-acetyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1372 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14448 161.1
[M+Na]+ 295.12642 165.3
[M+NH4]+ 290.17102 165.7
[M+K]+ 311.10036 165.1
[M-H]- 271.12992 157.2
[M+Na-2H]- 293.11187 162.0
[M]+ 272.13665 160.0
[M]- 272.13775 160.0
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

No patent data available for this compound.