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: 1
Patents: 234.02554 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.032816	139.5
[M+Na]+	257.014758	148.5
[M-H]-	233.018264	145.6
[M+NH4]+	252.059363	155.2
[M+K]+	272.988698	142.2
[M+H-H2O]+	217.022800	135.8
[M+HCOO]-	279.023741	156.7
[M+CH3COO]-	293.039391	191.5
[M+Na-2H]-	255.000206	145.0
[M]+	234.02499142	166.1
[M]-	234.02608858	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe