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]+ 245.149576 155.4
[M+Na]+ 267.131518 160.7
[M-H]- 243.135024 156.1
[M+NH4]+ 262.176123 174.3
[M+K]+ 283.105458 160.7
[M+H-H2O]+ 227.139560 150.8
[M+HCOO]- 289.140501 173.1
[M+CH3COO]- 303.156151 190.4
[M+Na-2H]- 265.116966 158.0
[M]+ 244.14175142 154.9
[M]- 244.14284858 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