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]+ 148.07570 117.4
[M+Na]+ 170.05764 126.5
[M-H]- 146.06114 121.2
[M+NH4]+ 165.10224 129.8
[M+K]+ 186.03158 128.0
[M+H-H2O]+ 130.06568 101.1
[M+HCOO]- 192.06662 133.7
[M+CH3COO]- 206.08227 185.8
[M+Na-2H]- 168.04309 123.1
[M]+ 147.06787 120.0
[M]- 147.06897 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.