CID 13860

1004-24-6

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C=C1CCC(CC1)CO

InChI

InChI=1S/C8H14O/c1-7-2-4-8(6-9)5-3-7/h8-9H,1-6H2

InChIKey

VEDQBZWFMDUFHU-UHFFFAOYSA-N

Compound name

(4-methylidenecyclohexyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 126
Patents: 126.10446 Da
Monoisotopic Mass: 1.3
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]+	127.11174	127.1
[M+Na]+	149.09368	132.6
[M-H]-	125.09718	128.8
[M+NH4]+	144.13828	148.6
[M+K]+	165.06762	130.7
[M+H-H2O]+	109.10172	122.4
[M+HCOO]-	171.10266	146.5
[M+CH3COO]-	185.11831	169.0
[M+Na-2H]-	147.07913	131.7
[M]+	126.10391	121.5
[M]-	126.10501	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe