CID 11275269

R-nostrenol

Structural Information

Molecular Formula

C₁₁H₂₂O

SMILES

CCCC/C=C\CCC[C@@H](C)O

InChI

InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h6-7,11-12H,3-5,8-10H2,1-2H3/b7-6-/t11-/m1/s1

InChIKey

URTNVXMNWNBRFL-JMEBYUIHSA-N

Compound name

(Z,2R)-undec-6-en-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 170.16707 Da
Monoisotopic Mass: 3.5
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]+	171.17435	144.8
[M+Na]+	193.15629	149.7
[M-H]-	169.15979	142.9
[M+NH4]+	188.20089	164.8
[M+K]+	209.13023	147.6
[M+H-H2O]+	153.16433	139.9
[M+HCOO]-	215.16527	164.9
[M+CH3COO]-	229.18092	180.9
[M+Na-2H]-	191.14174	147.4
[M]+	170.16652	146.1
[M]-	170.16762	146.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.