CID 71629071

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

Structural Information

Molecular Formula
C10H18BrNO2
SMILES
CC(C1CN(C1)C(=O)OC(C)(C)C)Br
InChI
InChI=1S/C10H18BrNO2/c1-7(11)8-5-12(6-8)9(13)14-10(2,3)4/h7-8H,5-6H2,1-4H3
InChIKey
XBCLFXIDLLRPCQ-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1-bromoethyl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0521 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.05938 149.1
[M+Na]+ 286.04132 157.5
[M-H]- 262.04482 153.7
[M+NH4]+ 281.08592 162.6
[M+K]+ 302.01526 151.3
[M+H-H2O]+ 246.04936 144.4
[M+HCOO]- 308.05030 163.9
[M+CH3COO]- 322.06595 196.7
[M+Na-2H]- 284.02677 152.9
[M]+ 263.05155 175.9
[M]- 263.05265 175.9
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

No patent data available for this compound.