CID 178200106

Tert-butyl 3-[(benzyloxy)methyl]-3-formylazetidine-1-carboxylate

Structural Information

Molecular Formula
C17H23NO4
SMILES
CC(C)(C)OC(=O)N1CC(C1)(COCC2=CC=CC=C2)C=O
InChI
InChI=1S/C17H23NO4/c1-16(2,3)22-15(20)18-10-17(11-18,12-19)13-21-9-14-7-5-4-6-8-14/h4-8,12H,9-11,13H2,1-3H3
InChIKey
LWLFJOMVSMGBHQ-UHFFFAOYSA-N
Compound name
tert-butyl 3-formyl-3-(phenylmethoxymethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.16272 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.169996 172.8
[M+Na]+ 328.151938 177.3
[M-H]- 304.155444 177.4
[M+NH4]+ 323.196543 181.8
[M+K]+ 344.125878 178.8
[M+H-H2O]+ 288.159980 160.7
[M+HCOO]- 350.160921 190.2
[M+CH3COO]- 364.176571 205.1
[M+Na-2H]- 326.137386 176.4
[M]+ 305.16217142 185.3
[M]- 305.16326858 185.3
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.