CID 83851891

2-(3-cyclobutyl-1,2-oxazol-5-yl)acetic acid

Structural Information

Molecular Formula
C9H11NO3
SMILES
C1CC(C1)C2=NOC(=C2)CC(=O)O
InChI
InChI=1S/C9H11NO3/c11-9(12)5-7-4-8(10-13-7)6-2-1-3-6/h4,6H,1-3,5H2,(H,11,12)
InChIKey
QHPRVJHCLKXUIR-UHFFFAOYSA-N
Compound name
2-(3-cyclobutyl-1,2-oxazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.0739 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 132.4
[M+Na]+ 204.063118 137.9
[M-H]- 180.066624 137.0
[M+NH4]+ 199.107723 144.0
[M+K]+ 220.037058 140.7
[M+H-H2O]+ 164.071160 121.2
[M+HCOO]- 226.072101 152.0
[M+CH3COO]- 240.087751 180.2
[M+Na-2H]- 202.048566 136.5
[M]+ 181.07335142 141.2
[M]- 181.07444858 141.2
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.