CID 165777138

En300-1142696

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(CC=O)C#N
InChI
InChI=1S/C12H18N2O3/c1-11(2,3)17-10(16)14-6-4-12(8-13,9-14)5-7-15/h7H,4-6,9H2,1-3H3
InChIKey
VGGZAOKULTUIQQ-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyano-3-(2-oxoethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13174 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 154.6
[M+Na]+ 261.12096 163.3
[M-H]- 237.12446 156.4
[M+NH4]+ 256.16556 172.8
[M+K]+ 277.09490 161.2
[M+H-H2O]+ 221.12900 142.8
[M+HCOO]- 283.12994 170.1
[M+CH3COO]- 297.14559 200.6
[M+Na-2H]- 259.10641 157.4
[M]+ 238.13119 151.0
[M]- 238.13229 151.0
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.