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: 13
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	146.3
[M+Na]+	239.11549	153.8
[M-H]-	215.11899	152.7
[M+NH4]+	234.16009	164.5
[M+K]+	255.08943	150.8
[M+H-H2O]+	199.12353	138.8
[M+HCOO]-	261.12447	167.2
[M+CH3COO]-	275.14012	159.0
[M+Na-2H]-	237.10094	152.0
[M]+	216.12572	143.4
[M]-	216.12682	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe