CID 64982818

4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C9H13NO3
SMILES
CC1=C(OC(=N1)CC(C)C)C(=O)O
InChI
InChI=1S/C9H13NO3/c1-5(2)4-7-10-6(3)8(13-7)9(11)12/h5H,4H2,1-3H3,(H,11,12)
InChIKey
DQWOGVRDVPVNQZ-UHFFFAOYSA-N
Compound name
4-methyl-2-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08954 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09682 139.5
[M+Na]+ 206.07876 149.7
[M+NH4]+ 201.12336 145.8
[M+K]+ 222.05270 148.3
[M-H]- 182.08226 139.8
[M+Na-2H]- 204.06421 142.1
[M]+ 183.08899 140.7
[M]- 183.09009 140.7
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.