CID 21882539

412356-27-5

Structural Information

Molecular Formula

C₁₃H₁₆N₂O

SMILES

C1CC(CCC1C2=NC3=CC=CC=C3O2)N

InChI

InChI=1S/C13H16N2O/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-4,9-10H,5-8,14H2

InChIKey

CPGQDMOBVHCUST-UHFFFAOYSA-N

Compound name

4-(1,3-benzoxazol-2-yl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 216.12627 Da
Monoisotopic Mass: 2.2
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]+	217.13355	147.3
[M+Na]+	239.11549	160.5
[M+NH4]+	234.16009	156.9
[M+K]+	255.08943	155.3
[M-H]-	215.11899	153.5
[M+Na-2H]-	237.10094	154.4
[M]+	216.12572	150.9
[M]-	216.12682	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe