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

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]+	245.017166	154.0
[M+Na]+	266.999108	165.8
[M-H]-	243.002614	159.9
[M+NH4]+	262.043713	181.9
[M+K]+	282.973048	155.8
[M+H-H2O]+	227.007150	156.2
[M+HCOO]-	289.008091	173.7
[M+CH3COO]-	303.023741	188.3
[M+Na-2H]-	264.984556	158.8
[M]+	244.00934142	174.0
[M]-	244.01043858	174.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.