CID 167726451

2901043-87-4

Structural Information

Molecular Formula
C11H16N2O4
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@@H]1C#N)C(=O)OC
InChI
InChI=1S/C11H16N2O4/c1-11(2,3)17-10(15)13-6-7(8(13)5-12)9(14)16-4/h7-8H,6H2,1-4H3/t7-,8+/m1/s1
InChIKey
FRDGHJOWMPJSCR-SFYZADRCSA-N
Compound name
1-O-tert-butyl 3-O-methyl (2R,3R)-2-cyanoazetidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.11101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.118286 149.7
[M+Na]+ 263.100228 155.9
[M-H]- 239.103734 151.7
[M+NH4]+ 258.144833 158.7
[M+K]+ 279.074168 160.9
[M+H-H2O]+ 223.108270 132.7
[M+HCOO]- 285.109211 163.7
[M+CH3COO]- 299.124861 205.8
[M+Na-2H]- 261.085676 151.1
[M]+ 240.11046142 155.5
[M]- 240.11155858 155.5
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.