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

14
Patents

198.10045 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.10773 142.4
[M+Na]+ 221.08967 149.6
[M-H]- 197.09317 143.7
[M+NH4]+ 216.13427 154.1
[M+K]+ 237.06361 153.2
[M+H-H2O]+ 181.09771 127.2
[M+HCOO]- 243.09865 156.3
[M+CH3COO]- 257.11430 195.6
[M+Na-2H]- 219.07512 147.0
[M]+ 198.09990 146.1
[M]- 198.10100 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