CID 72210916

1196157-54-6

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CC1C(=O)C(CN1C(=O)OC(C)(C)C)C#N
InChI
InChI=1S/C11H16N2O3/c1-7-9(14)8(5-12)6-13(7)10(15)16-11(2,3)4/h7-8H,6H2,1-4H3
InChIKey
SAGXHNJYGHDMQI-UHFFFAOYSA-N
Compound name
tert-butyl 4-cyano-2-methyl-3-oxopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 149.6
[M+Na]+ 247.105308 159.2
[M-H]- 223.108814 151.9
[M+NH4]+ 242.149913 167.0
[M+K]+ 263.079248 158.0
[M+H-H2O]+ 207.113350 137.7
[M+HCOO]- 269.114291 165.4
[M+CH3COO]- 283.129941 200.5
[M+Na-2H]- 245.090756 150.6
[M]+ 224.11554142 146.0
[M]- 224.11663858 146.0
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.