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: 1
Patents: 274.02045 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.027726	161.6
[M+Na]+	297.009668	172.0
[M-H]-	273.013174	166.9
[M+NH4]+	292.054273	189.6
[M+K]+	312.983608	162.2
[M+H-H2O]+	257.017710	164.4
[M+HCOO]-	319.018651	178.9
[M+CH3COO]-	333.034301	192.0
[M+Na-2H]-	294.995116	165.8
[M]+	274.01990142	180.8
[M]-	274.02099858	180.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe