CID 118571994

Tert-butyl 3-(dibromomethylidene)azetidine-1-carboxylate

Structural Information

Molecular Formula
C9H13Br2NO2
SMILES
CC(C)(C)OC(=O)N1CC(=C(Br)Br)C1
InChI
InChI=1S/C9H13Br2NO2/c1-9(2,3)14-8(13)12-4-6(5-12)7(10)11/h4-5H2,1-3H3
InChIKey
UNYQBRFGPDKQPF-UHFFFAOYSA-N
Compound name
tert-butyl 3-(dibromomethylidene)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

324.9313 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.93858 140.9
[M+Na]+ 347.92052 149.6
[M-H]- 323.92402 146.3
[M+NH4]+ 342.96512 153.6
[M+K]+ 363.89446 137.5
[M+H-H2O]+ 307.92856 144.8
[M+HCOO]- 369.92950 152.2
[M+CH3COO]- 383.94515 208.3
[M+Na-2H]- 345.90597 146.0
[M]+ 324.93075 179.9
[M]- 324.93185 179.9
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