CID 136535

2-methyladamantane

Structural Information

Molecular Formula

C₁₁H₁₈

SMILES

CC1C2CC3CC(C2)CC1C3

InChI

InChI=1S/C11H18/c1-7-10-3-8-2-9(5-10)6-11(7)4-8/h7-11H,2-6H2,1H3

InChIKey

VMODAALDMAYACB-UHFFFAOYSA-N

Compound name

2-methyladamantane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 7558
Patents: 150.14085 Da
Monoisotopic Mass: 4.1
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]+	151.14813	134.4
[M+Na]+	173.13007	137.0
[M-H]-	149.13357	130.3
[M+NH4]+	168.17467	160.9
[M+K]+	189.10401	134.2
[M+H-H2O]+	133.13811	129.3
[M+HCOO]-	195.13905	142.4
[M+CH3COO]-	209.15470	144.4
[M+Na-2H]-	171.11552	144.7
[M]+	150.14030	133.3
[M]-	150.14140	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe