CID 165764136

En300-1782486

Structural Information

Molecular Formula
C9H13NO3
SMILES
CCCC(C)C1=NOC(=C1)C(=O)O
InChI
InChI=1S/C9H13NO3/c1-3-4-6(2)7-5-8(9(11)12)13-10-7/h5-6H,3-4H2,1-2H3,(H,11,12)
InChIKey
GPQBYQDRTSANEG-UHFFFAOYSA-N
Compound name
3-pentan-2-yl-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08954 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09682 139.6
[M+Na]+ 206.07876 147.2
[M-H]- 182.08226 141.4
[M+NH4]+ 201.12336 158.0
[M+K]+ 222.05270 147.2
[M+H-H2O]+ 166.08680 133.7
[M+HCOO]- 228.08774 160.1
[M+CH3COO]- 242.10339 179.4
[M+Na-2H]- 204.06421 142.8
[M]+ 183.08899 142.2
[M]- 183.09009 142.2
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.