CID 166453025

Methyl 4-(2-bromoacetyl)bicyclo[2.2.1]heptane-1-carboxylate

Structural Information

Molecular Formula
C11H15BrO3
SMILES
COC(=O)C12CCC(C1)(CC2)C(=O)CBr
InChI
InChI=1S/C11H15BrO3/c1-15-9(14)11-4-2-10(7-11,3-5-11)8(13)6-12/h2-7H2,1H3
InChIKey
CIYWOIHSEMQBQZ-UHFFFAOYSA-N
Compound name
methyl 4-(2-bromoacetyl)bicyclo[2.2.1]heptane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

274.02045 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.02773 161.6
[M+Na]+ 297.00967 172.0
[M-H]- 273.01317 166.9
[M+NH4]+ 292.05427 189.6
[M+K]+ 312.98361 162.2
[M+H-H2O]+ 257.01771 164.4
[M+HCOO]- 319.01865 178.9
[M+CH3COO]- 333.03430 192.0
[M+Na-2H]- 294.99512 165.8
[M]+ 274.01990 180.8
[M]- 274.02100 180.8
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