CID 19830424

122760-85-4

Structural Information

Molecular Formula

C₁₄H₂₀O₂

SMILES

CC1C2CC3CC1C(C(C2)C3=C)OC(=O)C

InChI

InChI=1S/C14H20O2/c1-7-10-4-11-6-12(7)14(16-9(3)15)13(5-10)8(11)2/h8,10-14H,1,4-6H2,2-3H3

InChIKey

HYZYPKCUAUVUJO-UHFFFAOYSA-N

Compound name

(4-methyl-8-methylidene-2-adamantyl) acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 44
Patents: 220.14633 Da
Monoisotopic Mass: 2.6
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]+	221.15361	147.8
[M+Na]+	243.13555	157.5
[M+NH4]+	238.18015	158.7
[M+K]+	259.10949	150.5
[M-H]-	219.13905	145.6
[M+Na-2H]-	241.12100	142.8
[M]+	220.14578	148.4
[M]-	220.14688	148.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe