CID 53422581

1369364-08-8

Structural Information

Molecular Formula
C8H11NO3
SMILES
CC1=C(ON=C1C(=O)O)C(C)C
InChI
InChI=1S/C8H11NO3/c1-4(2)7-5(3)6(8(10)11)9-12-7/h4H,1-3H3,(H,10,11)
InChIKey
NYSCTKXOJJZGKS-UHFFFAOYSA-N
Compound name
4-methyl-5-propan-2-yl-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0739 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 135.0
[M+Na]+ 192.06312 145.4
[M+NH4]+ 187.10772 141.5
[M+K]+ 208.03706 144.3
[M-H]- 168.06662 135.3
[M+Na-2H]- 190.04857 137.9
[M]+ 169.07335 136.3
[M]- 169.07445 136.3
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.