CID 44148318

Propanoic acid, 2-methyl-, bicyclo(2.2.1)hept-5-en-2-yl ester

Structural Information

Molecular Formula

C₁₁H₁₆O₂

SMILES

CC(C)C(=O)OC1CC2CC1C=C2

InChI

InChI=1S/C11H16O2/c1-7(2)11(12)13-10-6-8-3-4-9(10)5-8/h3-4,7-10H,5-6H2,1-2H3

InChIKey

UHBUKFKTICTRIO-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.1]hept-5-enyl 2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 14
Patents: 180.11504 Da
Monoisotopic Mass: 2.5
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]+	181.122316	144.1
[M+Na]+	203.104258	150.8
[M-H]-	179.107764	147.0
[M+NH4]+	198.148863	169.3
[M+K]+	219.078198	149.7
[M+H-H2O]+	163.112300	139.9
[M+HCOO]-	225.113241	164.7
[M+CH3COO]-	239.128891	182.5
[M+Na-2H]-	201.089706	145.3
[M]+	180.11449142	145.2
[M]-	180.11558858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe