CID 177798216

3-cyclobutyl-5-ethynyl-1,2-oxazole

Structural Information

Molecular Formula
C9H9NO
SMILES
C#CC1=CC(=NO1)C2CCC2
InChI
InChI=1S/C9H9NO/c1-2-8-6-9(10-11-8)7-4-3-5-7/h1,6-7H,3-5H2
InChIKey
AAFQKCJMUBJQBL-UHFFFAOYSA-N
Compound name
3-cyclobutyl-5-ethynyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

147.06842 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.075696 117.4
[M+Na]+ 170.057638 126.5
[M-H]- 146.061144 121.2
[M+NH4]+ 165.102243 129.8
[M+K]+ 186.031578 128.0
[M+H-H2O]+ 130.065680 101.1
[M+HCOO]- 192.066621 133.7
[M+CH3COO]- 206.082271 185.8
[M+Na-2H]- 168.043086 123.1
[M]+ 147.06787142 120.0
[M]- 147.06896858 120.0
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

No patent data available for this compound.