CID 100941

59056-70-1

Structural Information

Molecular Formula

C₁₇H₂₆O₂

SMILES

CC1(CCC(C23C14C2CC(C4)C3(C)C)COC=O)C

InChI

InChI=1S/C17H26O2/c1-14(2)6-5-11(9-19-10-18)17-13-7-12(15(17,3)4)8-16(13,14)17/h10-13H,5-9H2,1-4H3

InChIKey

AMKJSSRFMFASCY-UHFFFAOYSA-N

Compound name

(5,5,11,11-tetramethyl-2-tetracyclo[6.2.1.01,6.06,10]undecanyl)methyl formate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3
Patents: 262.19327 Da
Monoisotopic Mass: 4.6
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]+	263.200546	158.0
[M+Na]+	285.182488	168.1
[M-H]-	261.185994	162.4
[M+NH4]+	280.227093	186.3
[M+K]+	301.156428	163.2
[M+H-H2O]+	245.190530	155.8
[M+HCOO]-	307.191471	170.1
[M+CH3COO]-	321.207121	170.0
[M+Na-2H]-	283.167936	162.9
[M]+	262.19272142	167.5
[M]-	262.19381858	167.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe