CID 98701

10002-37-6

Structural Information

Molecular Formula

C₉H₁₆N₂O

SMILES

C1CCC(CC1)NC2=NCCO2

InChI

InChI=1S/C9H16N2O/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h8H,1-7H2,(H,10,11)

InChIKey

XTZPBUFHOVLKQR-UHFFFAOYSA-N

Compound name

N-cyclohexyl-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 168.12627 Da
Monoisotopic Mass: 1.4
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]+	169.13355	136.6
[M+Na]+	191.11549	140.4
[M-H]-	167.11899	141.4
[M+NH4]+	186.16009	155.3
[M+K]+	207.08943	140.1
[M+H-H2O]+	151.12353	129.1
[M+HCOO]-	213.12447	156.7
[M+CH3COO]-	227.14012	177.1
[M+Na-2H]-	189.10094	142.0
[M]+	168.12572	130.7
[M]-	168.12682	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe