CID 13377308

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

Structural Information

Molecular Formula
C7H12N2O
SMILES
CCCCC1=NOC(=C1)N
InChI
InChI=1S/C7H12N2O/c1-2-3-4-6-5-7(8)10-9-6/h5H,2-4,8H2,1H3
InChIKey
PPJWTTNPKXVXCK-UHFFFAOYSA-N
Compound name
3-butyl-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

140.09496 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.102236 128.7
[M+Na]+ 163.084178 137.0
[M-H]- 139.087684 131.4
[M+NH4]+ 158.128783 149.3
[M+K]+ 179.058118 136.7
[M+H-H2O]+ 123.092220 122.5
[M+HCOO]- 185.093161 153.1
[M+CH3COO]- 199.108811 175.2
[M+Na-2H]- 161.069626 135.1
[M]+ 140.09441142 129.7
[M]- 140.09550858 129.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe