CID 82407338

1478137-38-0

Structural Information

Molecular Formula
C9H13NO3
SMILES
CC1=NOC(=C1)C(C(C)C)C(=O)O
InChI
InChI=1S/C9H13NO3/c1-5(2)8(9(11)12)7-4-6(3)10-13-7/h4-5,8H,1-3H3,(H,11,12)
InChIKey
JGCUSDPDALBKQZ-UHFFFAOYSA-N
Compound name
3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

183.08954 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.096816 139.7
[M+Na]+ 206.078758 147.0
[M-H]- 182.082264 141.6
[M+NH4]+ 201.123363 158.1
[M+K]+ 222.052698 147.6
[M+H-H2O]+ 166.086800 134.0
[M+HCOO]- 228.087741 159.2
[M+CH3COO]- 242.103391 180.4
[M+Na-2H]- 204.064206 141.7
[M]+ 183.08899142 141.7
[M]- 183.09008858 141.7
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

patents stripe