CID 11806237

Tert-butyl (2e)-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

118
Patents

220.00989 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.01717 142.4
[M+Na]+ 242.99911 153.4
[M-H]- 219.00261 145.6
[M+NH4]+ 238.04371 164.8
[M+K]+ 258.97305 143.3
[M+H-H2O]+ 203.00715 143.5
[M+HCOO]- 265.00809 161.6
[M+CH3COO]- 279.02374 184.9
[M+Na-2H]- 240.98456 149.0
[M]+ 220.00934 162.9
[M]- 220.01044 162.9
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