CID 13168213

344746-40-3

Structural Information

Molecular Formula

C₈H₁₄N₂O

SMILES

CCC(CC)C1=NOC(=C1)N

InChI

InChI=1S/C8H14N2O/c1-3-6(4-2)7-5-8(9)11-10-7/h5-6H,3-4,9H2,1-2H3

InChIKey

WATBXBFPSOTARH-UHFFFAOYSA-N

Compound name

3-pentan-3-yl-1,2-oxazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 154.11061 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]+	155.11789	134.4
[M+Na]+	177.09983	142.0
[M-H]-	153.10333	137.0
[M+NH4]+	172.14443	154.3
[M+K]+	193.07377	141.9
[M+H-H2O]+	137.10787	128.0
[M+HCOO]-	199.10881	157.4
[M+CH3COO]-	213.12446	179.1
[M+Na-2H]-	175.08528	138.9
[M]+	154.11006	135.1
[M]-	154.11116	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe