CID 228343

1565-76-0

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC)C(C)C

InChI

InChI=1S/C11H22O/c1-8(2)10-6-5-9(3)7-11(10)12-4/h8-11H,5-7H2,1-4H3/t9-,10+,11-/m1/s1

InChIKey

JDGJLPHFRJNJMN-OUAUKWLOSA-N

Compound name

(1S,2R,4R)-2-methoxy-4-methyl-1-propan-2-ylcyclohexane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 0
References: 2788
Patents: 170.16707 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]+	171.174346	140.8
[M+Na]+	193.156288	145.9
[M-H]-	169.159794	143.8
[M+NH4]+	188.200893	161.7
[M+K]+	209.130228	145.3
[M+H-H2O]+	153.164330	135.6
[M+HCOO]-	215.165271	159.6
[M+CH3COO]-	229.180921	183.7
[M+Na-2H]-	191.141736	142.4
[M]+	170.16652142	138.7
[M]-	170.16761858	138.7

Literature stripe

literature stripe

Patent stripe

patents stripe