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]+ 241.11829 149.7
[M+Na]+ 263.10023 155.9
[M-H]- 239.10373 151.7
[M+NH4]+ 258.14483 158.7
[M+K]+ 279.07417 160.9
[M+H-H2O]+ 223.10827 132.7
[M+HCOO]- 285.10921 163.7
[M+CH3COO]- 299.12486 205.8
[M+Na-2H]- 261.08568 151.1
[M]+ 240.11046 155.5
[M]- 240.11156 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.