CID 14998659

3-(o-tolyl)-4,5-dihydroisoxazole-5-carboxylic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
CC1=CC=CC=C1C2=NOC(C2)C(=O)O
InChI
InChI=1S/C11H11NO3/c1-7-4-2-3-5-8(7)9-6-10(11(13)14)15-12-9/h2-5,10H,6H2,1H3,(H,13,14)
InChIKey
LGUIIQKRAPDXBD-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 143.3
[M+Na]+ 228.06312 155.6
[M+NH4]+ 223.10772 150.7
[M+K]+ 244.03706 152.7
[M-H]- 204.06662 146.5
[M+Na-2H]- 226.04857 149.2
[M]+ 205.07335 145.8
[M]- 205.07445 145.8
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.