CID 1133642

150517-80-9

Structural Information

Molecular Formula
C8H11NO3
SMILES
CC(C)CC1=CC(=NO1)C(=O)O
InChI
InChI=1S/C8H11NO3/c1-5(2)3-6-4-7(8(10)11)9-12-6/h4-5H,3H2,1-2H3,(H,10,11)
InChIKey
CHMDISUDXFJSLN-UHFFFAOYSA-N
Compound name
5-(2-methylpropyl)-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

169.0739 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 135.3
[M+Na]+ 192.06312 145.3
[M+NH4]+ 187.10772 141.8
[M+K]+ 208.03706 144.0
[M-H]- 168.06662 135.5
[M+Na-2H]- 190.04857 138.4
[M]+ 169.07335 136.5
[M]- 169.07445 136.5
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