CID 72207957

1408075-52-4

Structural Information

Molecular Formula
C10H18BrNO2
SMILES
CC1(CN(C1)C(=O)OC(C)(C)C)CBr
InChI
InChI=1S/C10H18BrNO2/c1-9(2,3)14-8(13)12-6-10(4,5-11)7-12/h5-7H2,1-4H3
InChIKey
AIQVICNBUVBHFX-UHFFFAOYSA-N
Compound name
tert-butyl 3-(bromomethyl)-3-methylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
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 146.8
[M+Na]+ 286.04132 156.3
[M-H]- 262.04482 151.8
[M+NH4]+ 281.08592 162.2
[M+K]+ 302.01526 149.8
[M+H-H2O]+ 246.04936 143.7
[M+HCOO]- 308.05030 162.6
[M+CH3COO]- 322.06595 195.5
[M+Na-2H]- 284.02677 153.1
[M]+ 263.05155 174.7
[M]- 263.05265 174.7
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