CID 93948

58096-47-2

Structural Information

Molecular Formula

C₁₆H₂₆O₂

SMILES

CC1(CC(C23C1CCC(C2)(CCC3)C)OC=O)C

InChI

InChI=1S/C16H26O2/c1-14(2)9-13(18-11-17)16-7-4-6-15(3,10-16)8-5-12(14)16/h11-13H,4-10H2,1-3H3

InChIKey

WXBDWVKJVASAHR-UHFFFAOYSA-N

Compound name

(4,4,8-trimethyl-2-tricyclo[6.3.1.01,5]dodecanyl) formate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3
Patents: 250.19328 Da
Monoisotopic Mass: 5.0
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]+	251.200556	161.0
[M+Na]+	273.182498	167.2
[M-H]-	249.186004	164.5
[M+NH4]+	268.227103	188.0
[M+K]+	289.156438	163.6
[M+H-H2O]+	233.190540	155.9
[M+HCOO]-	295.191481	175.3
[M+CH3COO]-	309.207131	195.4
[M+Na-2H]-	271.167946	165.2
[M]+	250.19273142	158.7
[M]-	250.19382858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe