CID 20743957

93923-80-9

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

C1CCC(CC1)C(=O)OCC2CC3CCC2C3

InChI

InChI=1S/C15H24O2/c16-15(12-4-2-1-3-5-12)17-10-14-9-11-6-7-13(14)8-11/h11-14H,1-10H2

InChIKey

RFFAKBCMUWZXNZ-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.1]heptanylmethyl cyclohexanecarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 236.17763 Da
Monoisotopic Mass: 4.5
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]+	237.184906	160.4
[M+Na]+	259.166848	162.8
[M-H]-	235.170354	164.7
[M+NH4]+	254.211453	182.6
[M+K]+	275.140788	160.3
[M+H-H2O]+	219.174890	154.7
[M+HCOO]-	281.175831	176.4
[M+CH3COO]-	295.191481	190.7
[M+Na-2H]-	257.152296	158.6
[M]+	236.17708142	155.2
[M]-	236.17817858	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe