CID 21828700

Tert-butyl azetidine-3-carboxylate

Structural Information

Molecular Formula
C8H15NO2
SMILES
CC(C)(C)OC(=O)C1CNC1
InChI
InChI=1S/C8H15NO2/c1-8(2,3)11-7(10)6-4-9-5-6/h6,9H,4-5H2,1-3H3
InChIKey
DYEPMFDUWLPBKL-UHFFFAOYSA-N
Compound name
tert-butyl azetidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

276
Patents

157.11028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.11756 136.3
[M+Na]+ 180.09950 141.1
[M-H]- 156.10300 136.9
[M+NH4]+ 175.14410 148.9
[M+K]+ 196.07344 143.6
[M+H-H2O]+ 140.10754 126.0
[M+HCOO]- 202.10848 153.2
[M+CH3COO]- 216.12413 177.6
[M+Na-2H]- 178.08495 140.8
[M]+ 157.10973 143.5
[M]- 157.11083 143.5
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