CID 64145859

869786-47-0

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CC(C)(C)OC(=O)NC1(CCN(C1)C)C(=O)O
InChI
InChI=1S/C11H20N2O4/c1-10(2,3)17-9(16)12-11(8(14)15)5-6-13(4)7-11/h5-7H2,1-4H3,(H,12,16)(H,14,15)
InChIKey
ZODJPPKRQHLVLG-UHFFFAOYSA-N
Compound name
1-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

244.1423 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 155.5
[M+Na]+ 267.13152 160.7
[M+NH4]+ 262.17612 161.3
[M+K]+ 283.10546 159.3
[M-H]- 243.13502 152.6
[M+Na-2H]- 265.11697 157.4
[M]+ 244.14175 154.9
[M]- 244.14285 154.9
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

patents stripe