CID 7019896

2-{[(2s)-1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl]formamido}acetic acid

Structural Information

Molecular Formula
C12H20N2O5
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)O
InChI
InChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)14-6-4-5-8(14)10(17)13-7-9(15)16/h8H,4-7H2,1-3H3,(H,13,17)(H,15,16)/t8-/m0/s1
InChIKey
PLJXCLBLFPFXEN-QMMMGPOBSA-N
Compound name
2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

272.1372 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.144476 162.6
[M+Na]+ 295.126418 166.5
[M-H]- 271.129924 163.0
[M+NH4]+ 290.171023 178.1
[M+K]+ 311.100358 166.5
[M+H-H2O]+ 255.134460 156.6
[M+HCOO]- 317.135401 179.4
[M+CH3COO]- 331.151051 195.5
[M+Na-2H]- 293.111866 162.2
[M]+ 272.13665142 162.1
[M]- 272.13774858 162.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe