CID 86603

17660-75-2

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC1C2CC(C1C(=O)OC)C=C2

InChI

InChI=1S/C10H14O2/c1-6-7-3-4-8(5-7)9(6)10(11)12-2/h3-4,6-9H,5H2,1-2H3

InChIKey

NCDNOKVFSOMXCA-UHFFFAOYSA-N

Compound name

methyl 3-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 30
Patents: 166.09938 Da
Monoisotopic Mass: 1.9
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]+	167.106656	137.8
[M+Na]+	189.088598	146.1
[M-H]-	165.092104	141.2
[M+NH4]+	184.133203	163.9
[M+K]+	205.062538	144.8
[M+H-H2O]+	149.096640	134.1
[M+HCOO]-	211.097581	159.8
[M+CH3COO]-	225.113231	179.8
[M+Na-2H]-	187.074046	140.2
[M]+	166.09883142	139.6
[M]-	166.09992858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe