CID 75972515

1603845-48-2

Structural Information

Molecular Formula

C₁₅H₂₄O₂

SMILES

CC(CCC12CC3CC(C1)CC(C3)C2)C(=O)O

InChI

InChI=1S/C15H24O2/c1-10(14(16)17)2-3-15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,2-9H2,1H3,(H,16,17)

InChIKey

VEBAECXBNHWWDW-UHFFFAOYSA-N

Compound name

4-(1-adamantyl)-2-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 236.17763 Da
Monoisotopic Mass: 4.7
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]+	237.18491	161.2
[M+Na]+	259.16685	161.3
[M-H]-	235.17035	154.5
[M+NH4]+	254.21145	184.8
[M+K]+	275.14079	158.1
[M+H-H2O]+	219.17489	155.6
[M+HCOO]-	281.17583	164.3
[M+CH3COO]-	295.19148	168.1
[M+Na-2H]-	257.15230	168.2
[M]+	236.17708	160.5
[M]-	236.17818	160.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe