CID 4524555

Allyl 2-bromo-2-methylpropionate

Structural Information

Molecular Formula
C7H11BrO2
SMILES
CC(C)(C(=O)OCC=C)Br
InChI
InChI=1S/C7H11BrO2/c1-4-5-10-6(9)7(2,3)8/h4H,1,5H2,2-3H3
InChIKey
WIPLNCYPGHUSGF-UHFFFAOYSA-N
Compound name
prop-2-enyl 2-bromo-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

259
Patents

205.99425 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.00153 137.4
[M+Na]+ 228.98347 148.6
[M-H]- 204.98697 140.7
[M+NH4]+ 224.02807 160.2
[M+K]+ 244.95741 138.7
[M+H-H2O]+ 188.99151 138.7
[M+HCOO]- 250.99245 156.9
[M+CH3COO]- 265.00810 183.3
[M+Na-2H]- 226.96892 144.5
[M]+ 205.99370 157.6
[M]- 205.99480 157.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe