CID 13334664

55809-37-5

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CCCC1=CC(=NO1)N

InChI

InChI=1S/C6H10N2O/c1-2-3-5-4-6(7)8-9-5/h4H,2-3H2,1H3,(H2,7,8)

InChIKey

ZAXLZOMDJAHIOV-UHFFFAOYSA-N

Compound name

5-propyl-1,2-oxazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
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	124.0
[M+Na]+	149.068533	132.8
[M-H]-	125.072039	126.9
[M+NH4]+	144.113138	145.2
[M+K]+	165.042473	132.7
[M+H-H2O]+	109.076575	118.0
[M+HCOO]-	171.077516	148.7
[M+CH3COO]-	185.093166	172.1
[M+Na-2H]-	147.053981	131.0
[M]+	126.07876642	124.7
[M]-	126.07986358	124.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe