CID 14382056

72431-85-7

Structural Information

Molecular Formula

C₁₁H₁₅NO₃

SMILES

CC(=O)NC1(CC2CC1C=C2)C(=O)OC

InChI

InChI=1S/C11H15NO3/c1-7(13)12-11(10(14)15-2)6-8-3-4-9(11)5-8/h3-4,8-9H,5-6H2,1-2H3,(H,12,13)

InChIKey

RUTMULAEKSLWQD-UHFFFAOYSA-N

Compound name

methyl 2-acetamidobicyclo[2.2.1]hept-5-ene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 209.1052 Da
Monoisotopic Mass: 0.5
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]+	210.112476	147.9
[M+Na]+	232.094418	154.8
[M-H]-	208.097924	151.0
[M+NH4]+	227.139023	173.5
[M+K]+	248.068358	153.6
[M+H-H2O]+	192.102460	144.1
[M+HCOO]-	254.103401	169.9
[M+CH3COO]-	268.119051	187.3
[M+Na-2H]-	230.079866	151.1
[M]+	209.10465142	149.2
[M]-	209.10574858	149.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.