CID 110637

5259-31-4

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

CC1CC=CCC1CO

InChI

InChI=1S/C8H14O/c1-7-4-2-3-5-8(7)6-9/h2-3,7-9H,4-6H2,1H3

InChIKey

FNCRYRFSEYFWQZ-UHFFFAOYSA-N

Compound name

(6-methylcyclohex-3-en-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 126
Patents: 126.10446 Da
Monoisotopic Mass: 1.7
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	126.3
[M+Na]+	149.09368	132.6
[M-H]-	125.09718	128.4
[M+NH4]+	144.13828	148.1
[M+K]+	165.06762	131.1
[M+H-H2O]+	109.10172	121.6
[M+HCOO]-	171.10266	147.1
[M+CH3COO]-	185.11831	169.5
[M+Na-2H]-	147.07913	132.0
[M]+	126.10391	123.0
[M]-	126.10501	123.0

Literature stripe

literature stripe

Patent stripe

patents stripe