CID 25445

1-menthene

Structural Information

Molecular Formula

C₁₀H₁₈

SMILES

CC1=C(CCCC1)C(C)C

InChI

InChI=1S/C10H18/c1-8(2)10-7-5-4-6-9(10)3/h8H,4-7H2,1-3H3

InChIKey

JXMFWIFYAPYINL-UHFFFAOYSA-N

Compound name

1-methyl-2-propan-2-ylcyclohexene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 91
Patents: 138.14085 Da
Monoisotopic Mass: 3.1
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]+	139.14813	131.5
[M+Na]+	161.13007	137.1
[M-H]-	137.13357	134.7
[M+NH4]+	156.17467	153.5
[M+K]+	177.10401	136.1
[M+H-H2O]+	121.13811	126.4
[M+HCOO]-	183.13905	151.8
[M+CH3COO]-	197.15470	177.2
[M+Na-2H]-	159.11552	135.4
[M]+	138.14030	128.6
[M]-	138.14140	128.6

Literature stripe

literature stripe

Patent stripe

patents stripe