CID 11806237

(e)-tert-butyl 4-bromobut-2-enoate

Structural Information

Molecular Formula

C₈H₁₃BrO₂

SMILES

CC(C)(C)OC(=O)/C=C/CBr

InChI

InChI=1S/C8H13BrO2/c1-8(2,3)11-7(10)5-4-6-9/h4-5H,6H2,1-3H3/b5-4+

InChIKey

GJWISYPNGDTPOP-SNAWJCMRSA-N

Compound name

tert-butyl (E)-4-bromobut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 220.00989 Da
Monoisotopic Mass: 2.1
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]+	221.01717	141.7
[M+Na]+	242.99911	142.5
[M+NH4]+	238.04371	145.2
[M+K]+	258.97305	143.7
[M-H]-	219.00261	138.9
[M+Na-2H]-	240.98456	141.9
[M]+	220.00934	139.7
[M]-	220.01044	139.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe