CID 13334663

55809-38-6

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CC(C)C1=CC(=NO1)N

InChI

InChI=1S/C6H10N2O/c1-4(2)5-3-6(7)8-9-5/h3-4H,1-2H3,(H2,7,8)

InChIKey

AKJAMSGDZPHREW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 126.079315 Da
Monoisotopic Mass: 1.2
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]+	127.086591	124.9
[M+Na]+	149.068533	133.4
[M-H]-	125.072039	127.9
[M+NH4]+	144.113138	146.0
[M+K]+	165.042473	133.8
[M+H-H2O]+	109.076575	119.0
[M+HCOO]-	171.077516	148.6
[M+CH3COO]-	185.093166	173.0
[M+Na-2H]-	147.053981	130.6
[M]+	126.07876642	124.9
[M]-	126.07986358	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe