CID 4535412

Tert-butyl 2-bromoprop-2-enoate

Structural Information

Molecular Formula
C7H11BrO2
SMILES
CC(C)(C)OC(=O)C(=C)Br
InChI
InChI=1S/C7H11BrO2/c1-5(8)6(9)10-7(2,3)4/h1H2,2-4H3
InChIKey
GWIIOMWMVVSZJE-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromoprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

299
Patents

205.99425 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.001526 137.5
[M+Na]+ 228.983468 148.5
[M-H]- 204.986974 140.9
[M+NH4]+ 224.028073 160.2
[M+K]+ 244.957408 139.0
[M+H-H2O]+ 188.991510 138.8
[M+HCOO]- 250.992451 156.0
[M+CH3COO]- 265.008101 183.4
[M+Na-2H]- 226.968916 143.4
[M]+ 205.99370142 157.0
[M]- 205.99479858 157.0
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