CID 134231321

2002589-21-9

Structural Information

Molecular Formula
C13H20N2O4
SMILES
CC(C)(C)OC(=O)N1CCCC1(CC#N)C(=O)OC
InChI
InChI=1S/C13H20N2O4/c1-12(2,3)19-11(17)15-9-5-6-13(15,7-8-14)10(16)18-4/h5-7,9H2,1-4H3
InChIKey
KSLZMQHJMSLQHS-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 2-O-methyl 2-(cyanomethyl)pyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

268.1423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.14958 161.2
[M+Na]+ 291.13152 169.2
[M-H]- 267.13502 163.0
[M+NH4]+ 286.17612 178.3
[M+K]+ 307.10546 168.0
[M+H-H2O]+ 251.13956 149.5
[M+HCOO]- 313.14050 175.8
[M+CH3COO]- 327.15615 205.3
[M+Na-2H]- 289.11697 162.8
[M]+ 268.14175 158.6
[M]- 268.14285 158.6
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