CID 131542820

2090270-00-9

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CC(C)(C)OC(=O)NC1CC(CC1=O)C#N
InChI
InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-8-4-7(6-12)5-9(8)14/h7-8H,4-5H2,1-3H3,(H,13,15)
InChIKey
VOKPXOBQEWGRLG-UHFFFAOYSA-N
Compound name
tert-butyl N-(4-cyano-2-oxocyclopentyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.123366 153.4
[M+Na]+ 247.105308 161.5
[M-H]- 223.108814 156.7
[M+NH4]+ 242.149913 171.4
[M+K]+ 263.079248 160.0
[M+H-H2O]+ 207.113350 141.7
[M+HCOO]- 269.114291 171.2
[M+CH3COO]- 283.129941 201.5
[M+Na-2H]- 245.090756 155.0
[M]+ 224.11554142 148.2
[M]- 224.11663858 148.2
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.