CID 146155277

2416242-87-8

Structural Information

Molecular Formula
C10H13BrO2
SMILES
COC(=O)C1(CC2CC1C=C2)CBr
InChI
InChI=1S/C10H13BrO2/c1-13-9(12)10(6-11)5-7-2-3-8(10)4-7/h2-3,7-8H,4-6H2,1H3
InChIKey
WMNPZJNJHILUQH-UHFFFAOYSA-N
Compound name
methyl 2-(bromomethyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.00989 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.01717 154.0
[M+Na]+ 266.99911 165.8
[M-H]- 243.00261 159.9
[M+NH4]+ 262.04371 181.9
[M+K]+ 282.97305 155.8
[M+H-H2O]+ 227.00715 156.2
[M+HCOO]- 289.00809 173.7
[M+CH3COO]- 303.02374 188.3
[M+Na-2H]- 264.98456 158.8
[M]+ 244.00934 174.0
[M]- 244.01044 174.0
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.