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]+ 219.001526 141.5
[M+Na]+ 240.983468 152.6
[M-H]- 216.986974 147.8
[M+NH4]+ 236.028073 167.0
[M+K]+ 256.957408 143.2
[M+H-H2O]+ 200.991510 143.0
[M+HCOO]- 262.992451 162.9
[M+CH3COO]- 277.008101 182.3
[M+Na-2H]- 238.968916 147.9
[M]+ 217.99370142 160.7
[M]- 217.99479858 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.