CID 95731322

Tert-butyl 3-[(1s)-1-hydroxyethyl]azetidine-1-carboxylate

Structural Information

Molecular Formula
C10H19NO3
SMILES
C[C@@H](C1CN(C1)C(=O)OC(C)(C)C)O
InChI
InChI=1S/C10H19NO3/c1-7(12)8-5-11(6-8)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-/m0/s1
InChIKey
FOEGASXWOTWMKN-ZETCQYMHSA-N
Compound name
tert-butyl 3-[(1S)-1-hydroxyethyl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.13649 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.14377 149.1
[M+Na]+ 224.12571 153.5
[M-H]- 200.12921 149.7
[M+NH4]+ 219.17031 160.1
[M+K]+ 240.09965 156.5
[M+H-H2O]+ 184.13375 138.4
[M+HCOO]- 246.13469 164.4
[M+CH3COO]- 260.15034 186.8
[M+Na-2H]- 222.11116 150.6
[M]+ 201.13594 158.0
[M]- 201.13704 158.0
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.