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

15
Patents

268.1423 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.149576 161.2
[M+Na]+ 291.131518 169.2
[M-H]- 267.135024 163.0
[M+NH4]+ 286.176123 178.3
[M+K]+ 307.105458 168.0
[M+H-H2O]+ 251.139560 149.5
[M+HCOO]- 313.140501 175.8
[M+CH3COO]- 327.156151 205.3
[M+Na-2H]- 289.116966 162.8
[M]+ 268.14175142 158.6
[M]- 268.14284858 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