CID 141744545

2408964-32-7

Structural Information

Molecular Formula
C9H15BrO2
SMILES
CC(C)(C)OC(=O)C1CC(C1)Br
InChI
InChI=1S/C9H15BrO2/c1-9(2,3)12-8(11)6-4-7(10)5-6/h6-7H,4-5H2,1-3H3
InChIKey
DLQJEXRFXQKXIE-UHFFFAOYSA-N
Compound name
tert-butyl 3-bromocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.02554 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.03282 139.5
[M+Na]+ 257.01476 148.5
[M-H]- 233.01826 145.6
[M+NH4]+ 252.05936 155.2
[M+K]+ 272.98870 142.2
[M+H-H2O]+ 217.02280 135.8
[M+HCOO]- 279.02374 156.7
[M+CH3COO]- 293.03939 191.5
[M+Na-2H]- 255.00021 145.0
[M]+ 234.02499 166.1
[M]- 234.02609 166.1
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.