CID 13168212

344353-06-6

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CCC(C)C1=NOC(=C1)N

InChI

InChI=1S/C7H12N2O/c1-3-5(2)6-4-7(8)10-9-6/h4-5H,3,8H2,1-2H3

InChIKey

FTXSQFAXWUMNKU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 140.09496 Da
Monoisotopic Mass: 1.5
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]+	141.10224	129.7
[M+Na]+	163.08418	137.7
[M-H]-	139.08768	132.4
[M+NH4]+	158.12878	150.2
[M+K]+	179.05812	137.8
[M+H-H2O]+	123.09222	123.5
[M+HCOO]-	185.09316	153.0
[M+CH3COO]-	199.10881	176.0
[M+Na-2H]-	161.06963	134.8
[M]+	140.09441	130.0
[M]-	140.09551	130.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe