CID 3063997

101931-87-7

Structural Information

Molecular Formula

C₁₀H₁₈N₂O

SMILES

CC1CCCCC1NC2=NCCO2

InChI

InChI=1S/C10H18N2O/c1-8-4-2-3-5-9(8)12-10-11-6-7-13-10/h8-9H,2-7H2,1H3,(H,11,12)

InChIKey

XPRUNBTWBHHVIS-UHFFFAOYSA-N

Compound name

N-(2-methylcyclohexyl)-4,5-dihydro-1,3-oxazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 182.1419 Da
Monoisotopic Mass: 1.9
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]+	183.14918	141.6
[M+Na]+	205.13112	145.8
[M-H]-	181.13462	146.5
[M+NH4]+	200.17572	160.0
[M+K]+	221.10506	145.2
[M+H-H2O]+	165.13916	134.1
[M+HCOO]-	227.14010	161.3
[M+CH3COO]-	241.15575	181.2
[M+Na-2H]-	203.11657	145.6
[M]+	182.14135	136.4
[M]-	182.14245	136.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe