CID 4141241

Refchem:821291

Structural Information

Molecular Formula

C₁₁H₁₈N₂O

SMILES

C1C2CC3CC1CC(C2)(C3)C(=NO)N

InChI

InChI=1S/C11H18N2O/c12-10(13-14)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9,14H,1-6H2,(H2,12,13)

InChIKey

ISVFJWIOFPUALW-UHFFFAOYSA-N

Compound name

N'-hydroxyadamantane-1-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 194.1419 Da
Monoisotopic Mass: 2.0
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]+	195.149176	142.4
[M+Na]+	217.131118	143.8
[M-H]-	193.134624	137.1
[M+NH4]+	212.175723	167.7
[M+K]+	233.105058	141.3
[M+H-H2O]+	177.139160	136.9
[M+HCOO]-	239.140101	150.8
[M+CH3COO]-	253.155751	151.0
[M+Na-2H]-	215.116566	153.5
[M]+	194.14135142	139.5
[M]-	194.14244858	139.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe