CID 137944859

2287288-84-8

Structural Information

Molecular Formula
C8H11BrO2
SMILES
COC(=O)C1(CC=CC1)CBr
InChI
InChI=1S/C8H11BrO2/c1-11-7(10)8(6-9)4-2-3-5-8/h2-3H,4-6H2,1H3
InChIKey
LPTWHAGOVWDFAQ-UHFFFAOYSA-N
Compound name
methyl 1-(bromomethyl)cyclopent-3-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.99425 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.00153 141.5
[M+Na]+ 240.98347 152.6
[M-H]- 216.98697 147.8
[M+NH4]+ 236.02807 167.0
[M+K]+ 256.95741 143.2
[M+H-H2O]+ 200.99151 143.0
[M+HCOO]- 262.99245 162.9
[M+CH3COO]- 277.00810 182.3
[M+Na-2H]- 238.96892 147.9
[M]+ 217.99370 160.7
[M]- 217.99480 160.7
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

No patent data available for this compound.