CID 64162

1-adamantacoyldiazomethane

Structural Information

Molecular Formula

C₁₂H₁₆N₂O

SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C=[N+]=[N-]

InChI

InChI=1S/C12H16N2O/c13-14-7-11(15)12-4-8-1-9(5-12)3-10(2-8)6-12/h7-10H,1-6H2

InChIKey

GONIHHFXBAOLKR-UHFFFAOYSA-N

Compound name

1-(1-adamantyl)-2-diazoethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 204.12627 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]+	205.13355	140.1
[M+Na]+	227.11549	141.0
[M-H]-	203.11899	136.4
[M+NH4]+	222.16009	165.1
[M+K]+	243.08943	134.0
[M+H-H2O]+	187.12353	138.3
[M+HCOO]-	249.12447	151.2
[M+CH3COO]-	263.14012	192.4
[M+Na-2H]-	225.10094	153.4
[M]+	204.12572	136.7
[M]-	204.12682	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe