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

291
Patents

205.99425 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00153 137.5
[M+Na]+ 228.98347 148.5
[M-H]- 204.98697 140.9
[M+NH4]+ 224.02807 160.2
[M+K]+ 244.95741 139.0
[M+H-H2O]+ 188.99151 138.8
[M+HCOO]- 250.99245 156.0
[M+CH3COO]- 265.00810 183.4
[M+Na-2H]- 226.96892 143.4
[M]+ 205.99370 157.0
[M]- 205.99480 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