CID 130067952

1-boc-3-cyano-3-(2-oxoethyl)azetidine

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(CC=O)C#N
InChI
InChI=1S/C11H16N2O3/c1-10(2,3)16-9(15)13-7-11(6-12,8-13)4-5-14/h5H,4,7-8H2,1-3H3
InChIKey
BERBHJIDRVKYNB-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyano-3-(2-oxoethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 147.8
[M+Na]+ 247.10531 154.9
[M-H]- 223.10881 150.0
[M+NH4]+ 242.14991 159.2
[M+K]+ 263.07925 158.2
[M+H-H2O]+ 207.11335 132.2
[M+HCOO]- 269.11429 162.6
[M+CH3COO]- 283.12994 202.3
[M+Na-2H]- 245.09076 152.0
[M]+ 224.11554 153.2
[M]- 224.11664 153.2
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.