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]+ 273.144476 160.8
[M+Na]+ 295.126418 165.6
[M-H]- 271.129924 161.4
[M+NH4]+ 290.171023 178.4
[M+K]+ 311.100358 166.0
[M+H-H2O]+ 255.134460 156.3
[M+HCOO]- 317.135401 177.6
[M+CH3COO]- 331.151051 195.0
[M+Na-2H]- 293.111866 162.0
[M]+ 272.13665142 160.7
[M]- 272.13774858 160.7
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.