CID 57356380

Schembl2959893

Structural Information

Molecular Formula

C₁₅H₂₄O

SMILES

COCCCC=C1CC2CC1C3C2CCC3

InChI

InChI=1S/C15H24O/c1-16-8-3-2-5-11-9-12-10-15(11)14-7-4-6-13(12)14/h5,12-15H,2-4,6-10H2,1H3

InChIKey

XRHVLQZJSWNRMK-UHFFFAOYSA-N

Compound name

8-(4-methoxybutylidene)tricyclo[5.2.1.02,6]decane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 220.18271 Da
Monoisotopic Mass: 3.6
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]+	221.189986	159.9
[M+Na]+	243.171928	165.6
[M-H]-	219.175434	162.9
[M+NH4]+	238.216533	186.2
[M+K]+	259.145868	161.8
[M+H-H2O]+	203.179970	155.9
[M+HCOO]-	265.180911	178.6
[M+CH3COO]-	279.196561	191.0
[M+Na-2H]-	241.157376	158.6
[M]+	220.18216142	159.2
[M]-	220.18325858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe