CID 151001800

Tert-butyl 3-formyl-2,2-dimethylazetidine-1-carboxylate

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC1(C(CN1C(=O)OC(C)(C)C)C=O)C
InChI
InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-6-8(7-13)11(12,4)5/h7-8H,6H2,1-5H3
InChIKey
LUGJFPUMUKHHDU-UHFFFAOYSA-N
Compound name
tert-butyl 3-formyl-2,2-dimethylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

213.13649 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 149.1
[M+Na]+ 236.12571 155.8
[M-H]- 212.12921 151.7
[M+NH4]+ 231.17031 162.7
[M+K]+ 252.09965 158.6
[M+H-H2O]+ 196.13375 140.1
[M+HCOO]- 258.13469 166.8
[M+CH3COO]- 272.15034 191.2
[M+Na-2H]- 234.11116 152.7
[M]+ 213.13594 161.0
[M]- 213.13704 161.0
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

patents stripe