CID 82600845

1352524-78-7

Structural Information

Molecular Formula
C9H11NO3
SMILES
CC1=CC(=NO1)C2(CCC2)C(=O)O
InChI
InChI=1S/C9H11NO3/c1-6-5-7(10-13-6)9(8(11)12)3-2-4-9/h5H,2-4H2,1H3,(H,11,12)
InChIKey
OXEDFHDRVQJULK-UHFFFAOYSA-N
Compound name
1-(5-methyl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.0739 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 133.4
[M+Na]+ 204.063118 139.9
[M-H]- 180.066624 138.5
[M+NH4]+ 199.107723 147.1
[M+K]+ 220.037058 142.7
[M+H-H2O]+ 164.071160 123.6
[M+HCOO]- 226.072101 153.1
[M+CH3COO]- 240.087751 179.8
[M+Na-2H]- 202.048566 138.6
[M]+ 181.07335142 142.6
[M]- 181.07444858 142.6
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.