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]+ 225.12337 153.4
[M+Na]+ 247.10531 161.5
[M-H]- 223.10881 156.7
[M+NH4]+ 242.14991 171.4
[M+K]+ 263.07925 160.0
[M+H-H2O]+ 207.11335 141.7
[M+HCOO]- 269.11429 171.2
[M+CH3COO]- 283.12994 201.5
[M+Na-2H]- 245.09076 155.0
[M]+ 224.11554 148.2
[M]- 224.11664 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.