CID 19790878

852324-38-0

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(C)(C)OC(=O)N1CCC1C=O
InChI
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-5-4-7(10)6-11/h6-7H,4-5H2,1-3H3
InChIKey
UEGGEIJWHPDPLL-UHFFFAOYSA-N
Compound name
tert-butyl 2-formylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

185.1052 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 140.2
[M+Na]+ 208.094418 146.1
[M-H]- 184.097924 142.5
[M+NH4]+ 203.139023 152.6
[M+K]+ 224.068358 149.2
[M+H-H2O]+ 168.102460 129.8
[M+HCOO]- 230.103401 158.6
[M+CH3COO]- 244.119051 184.6
[M+Na-2H]- 206.079866 144.3
[M]+ 185.10465142 150.7
[M]- 185.10574858 150.7
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