CID 140236418

2167826-05-1

Structural Information

Molecular Formula

C₈H₁₂N₂O

SMILES

CC1(CCC1)C2=NOC(=C2)N

InChI

InChI=1S/C8H12N2O/c1-8(3-2-4-8)6-5-7(9)11-10-6/h5H,2-4,9H2,1H3

InChIKey

NWCWCLHTTWTDEE-UHFFFAOYSA-N

Compound name

3-(1-methylcyclobutyl)-1,2-oxazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 24
Patents: 152.09496 Da
Monoisotopic Mass: 1.7
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]+	153.10224	127.7
[M+Na]+	175.08418	134.5
[M-H]-	151.08768	133.6
[M+NH4]+	170.12878	143.0
[M+K]+	191.05812	137.0
[M+H-H2O]+	135.09222	117.3
[M+HCOO]-	197.09316	149.9
[M+CH3COO]-	211.10881	179.4
[M+Na-2H]-	173.06963	134.3
[M]+	152.09441	135.2
[M]-	152.09551	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe