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	138.4
[M+Na]+	191.11549	148.1
[M+NH4]+	186.16009	147.4
[M+K]+	207.08943	144.0
[M-H]-	167.11899	143.2
[M+Na-2H]-	189.10094	144.1
[M]+	168.12572	140.9
[M]-	168.12682	140.9

Literature stripe

literature stripe

Patent stripe

patents stripe