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

289
Patents

157.11028 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.117556 136.3
[M+Na]+ 180.099498 141.1
[M-H]- 156.103004 136.9
[M+NH4]+ 175.144103 148.9
[M+K]+ 196.073438 143.6
[M+H-H2O]+ 140.107540 126.0
[M+HCOO]- 202.108481 153.2
[M+CH3COO]- 216.124131 177.6
[M+Na-2H]- 178.084946 140.8
[M]+ 157.10973142 143.5
[M]- 157.11082858 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