CID 10955115

Tert-butyl 2-(bromomethyl)prop-2-enoate

Structural Information

Molecular Formula
C8H13BrO2
SMILES
CC(C)(C)OC(=O)C(=C)CBr
InChI
InChI=1S/C8H13BrO2/c1-6(5-9)7(10)11-8(2,3)4/h1,5H2,2-4H3
InChIKey
AEZPDFMFNUKVCF-UHFFFAOYSA-N
Compound name
tert-butyl 2-(bromomethyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

148
Patents

220.00989 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01717 142.2
[M+Na]+ 242.99911 152.8
[M-H]- 219.00261 145.4
[M+NH4]+ 238.04371 164.4
[M+K]+ 258.97305 143.1
[M+H-H2O]+ 203.00715 143.3
[M+HCOO]- 265.00809 160.4
[M+CH3COO]- 279.02374 186.3
[M+Na-2H]- 240.98456 147.6
[M]+ 220.00934 162.0
[M]- 220.01044 162.0
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