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]+ 225.12337 149.6
[M+Na]+ 247.10531 159.2
[M-H]- 223.10881 151.9
[M+NH4]+ 242.14991 167.0
[M+K]+ 263.07925 158.0
[M+H-H2O]+ 207.11335 137.7
[M+HCOO]- 269.11429 165.4
[M+CH3COO]- 283.12994 200.5
[M+Na-2H]- 245.09076 150.6
[M]+ 224.11554 146.0
[M]- 224.11664 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.