CID 5315406

Yomogi alcohol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC(C)(C=C)/C=C/C(C)(C)O

InChI

InChI=1S/C10H18O/c1-6-9(2,3)7-8-10(4,5)11/h6-8,11H,1H2,2-5H3/b8-7+

InChIKey

CSMMFGCGBLZIJE-BQYQJAHWSA-N

Compound name

(3E)-2,5,5-trimethylhepta-3,6-dien-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 105
Patents: 154.13577 Da
Monoisotopic Mass: 2.6
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]+	155.143046	136.8
[M+Na]+	177.124988	143.6
[M-H]-	153.128494	135.8
[M+NH4]+	172.169593	157.7
[M+K]+	193.098928	141.5
[M+H-H2O]+	137.133030	133.6
[M+HCOO]-	199.133971	155.4
[M+CH3COO]-	213.149621	176.8
[M+Na-2H]-	175.110436	142.9
[M]+	154.13522142	136.7
[M]-	154.13631858	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe