CID 73977812

Tert-butyl 3-cyano-3-hydroxyazetidine-1-carboxylate

Structural Information

Molecular Formula
C9H14N2O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C#N)O
InChI
InChI=1S/C9H14N2O3/c1-8(2,3)14-7(12)11-5-9(13,4-10)6-11/h13H,5-6H2,1-3H3
InChIKey
ORIZOARFGLMZHN-UHFFFAOYSA-N
Compound name
tert-butyl 3-cyano-3-hydroxyazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

198.10045 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.107726 142.4
[M+Na]+ 221.089668 149.6
[M-H]- 197.093174 143.7
[M+NH4]+ 216.134273 154.1
[M+K]+ 237.063608 153.2
[M+H-H2O]+ 181.097710 127.2
[M+HCOO]- 243.098651 156.3
[M+CH3COO]- 257.114301 195.6
[M+Na-2H]- 219.075116 147.0
[M]+ 198.09990142 146.1
[M]- 198.10099858 146.1
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

patents stripe