CID 167733685

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

Structural Information

Molecular Formula
C10H16BrNO2
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(=C)Br
InChI
InChI=1S/C10H16BrNO2/c1-7(11)8-5-12(6-8)9(13)14-10(2,3)4/h8H,1,5-6H2,2-4H3
InChIKey
GOPGOLLYAAQSDM-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1-bromoethenyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.03644 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.04372 147.6
[M+Na]+ 284.02566 156.2
[M-H]- 260.02916 152.2
[M+NH4]+ 279.07026 161.0
[M+K]+ 299.99960 149.5
[M+H-H2O]+ 244.03370 142.9
[M+HCOO]- 306.03464 162.5
[M+CH3COO]- 320.05029 195.9
[M+Na-2H]- 282.01111 151.4
[M]+ 261.03589 173.7
[M]- 261.03699 173.7
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

No patent data available for this compound.