CID 132314071

2138132-27-9

Structural Information

Molecular Formula
C13H20N2O5
SMILES
CC(C)(C)OC(=O)N1CC(C1)N2CC(CC2=O)C(=O)O
InChI
InChI=1S/C13H20N2O5/c1-13(2,3)20-12(19)14-6-9(7-14)15-5-8(11(17)18)4-10(15)16/h8-9H,4-7H2,1-3H3,(H,17,18)
InChIKey
FMFLQJBRNIPTJY-UHFFFAOYSA-N
Compound name
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1372 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14448 164.7
[M+Na]+ 307.12642 168.3
[M-H]- 283.12992 167.0
[M+NH4]+ 302.17102 172.3
[M+K]+ 323.10036 170.7
[M+H-H2O]+ 267.13446 153.1
[M+HCOO]- 329.13540 177.7
[M+CH3COO]- 343.15105 199.6
[M+Na-2H]- 305.11187 162.4
[M]+ 284.13665 172.8
[M]- 284.13775 172.8
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.