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]+ 202.143766 149.1
[M+Na]+ 224.125708 153.5
[M-H]- 200.129214 149.7
[M+NH4]+ 219.170313 160.1
[M+K]+ 240.099648 156.5
[M+H-H2O]+ 184.133750 138.4
[M+HCOO]- 246.134691 164.4
[M+CH3COO]- 260.150341 186.8
[M+Na-2H]- 222.111156 150.6
[M]+ 201.13594142 158.0
[M]- 201.13703858 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.