CID 44151129

93983-74-5

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CCCC(=O)OCC1CCC2C1C3CCC2C3

InChI

InChI=1S/C15H24O2/c1-2-3-14(16)17-9-12-6-7-13-10-4-5-11(8-10)15(12)13/h10-13,15H,2-9H2,1H3

InChIKey

XTDIPJOCJZHMMU-UHFFFAOYSA-N

Compound name

3-tricyclo[5.2.1.02,6]decanylmethyl butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 236.17763 Da
Monoisotopic Mass: 4.1
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]+	237.184906	163.8
[M+Na]+	259.166848	168.9
[M-H]-	235.170354	166.8
[M+NH4]+	254.211453	189.3
[M+K]+	275.140788	166.1
[M+H-H2O]+	219.174890	160.0
[M+HCOO]-	281.175831	181.5
[M+CH3COO]-	295.191481	193.7
[M+Na-2H]-	257.152296	161.4
[M]+	236.17708142	163.9
[M]-	236.17817858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe