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]+ 285.144476 164.7
[M+Na]+ 307.126418 168.3
[M-H]- 283.129924 167.0
[M+NH4]+ 302.171023 172.3
[M+K]+ 323.100358 170.7
[M+H-H2O]+ 267.134460 153.1
[M+HCOO]- 329.135401 177.7
[M+CH3COO]- 343.151051 199.6
[M+Na-2H]- 305.111866 162.4
[M]+ 284.13665142 172.8
[M]- 284.13774858 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.