CID 94060

58461-27-1

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC(=CCC(CO)C(=C)C)C

InChI

InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3

InChIKey

CZVXBFUKBZRMKR-UHFFFAOYSA-N

Compound name

5-methyl-2-prop-1-en-2-ylhex-4-en-1-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 29
References: 3300
Patents: 154.13577 Da
Monoisotopic Mass: 3.0
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]+	155.14305	138.7
[M+Na]+	177.12499	143.9
[M-H]-	153.12849	137.3
[M+NH4]+	172.16959	159.2
[M+K]+	193.09893	142.4
[M+H-H2O]+	137.13303	134.3
[M+HCOO]-	199.13397	157.4
[M+CH3COO]-	213.14962	178.7
[M+Na-2H]-	175.11044	139.4
[M]+	154.13522	137.6
[M]-	154.13632	137.6

Literature stripe

literature stripe

Patent stripe

patents stripe