CID 165362672

Xxonjrzyfpndgd-prmslibysa-n

Structural Information

Molecular Formula

C₁₆H₃₀O₃

SMILES

CC(COC(C)CO[C@H]1C[C@@H]2CC[C@]1(C2(C)C)C)O

InChI

InChI=1S/C16H30O3/c1-11(17)9-18-12(2)10-19-14-8-13-6-7-16(14,5)15(13,3)4/h11-14,17H,6-10H2,1-5H3/t11?,12?,13-,14-,16+/m0/s1

InChIKey

XXONJRZYFPNDGD-PRMSLIBYSA-N

Compound name

1-[1-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-yloxy]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 22
Patents: 270.21948 Da
Monoisotopic Mass: 3.3
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]+	271.226756	169.9
[M+Na]+	293.208698	175.5
[M-H]-	269.212204	170.9
[M+NH4]+	288.253303	195.0
[M+K]+	309.182638	173.5
[M+H-H2O]+	253.216740	167.3
[M+HCOO]-	315.217681	185.7
[M+CH3COO]-	329.233331	199.1
[M+Na-2H]-	291.194146	169.4
[M]+	270.21893142	172.8
[M]-	270.22002858	172.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.