CID 47003410

2-[5-methyl-2-(thiophen-3-yl)-1,3-oxazol-4-yl]acetic acid

Structural Information

Molecular Formula
C10H9NO3S
SMILES
CC1=C(N=C(O1)C2=CSC=C2)CC(=O)O
InChI
InChI=1S/C10H9NO3S/c1-6-8(4-9(12)13)11-10(14-6)7-2-3-15-5-7/h2-3,5H,4H2,1H3,(H,12,13)
InChIKey
ZPWGLCHQTGQZEO-UHFFFAOYSA-N
Compound name
2-(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.03032 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.03760 145.9
[M+Na]+ 246.01954 157.1
[M-H]- 222.02304 152.7
[M+NH4]+ 241.06414 165.6
[M+K]+ 261.99348 155.4
[M+H-H2O]+ 206.02758 140.8
[M+HCOO]- 268.02852 166.0
[M+CH3COO]- 282.04417 182.3
[M+Na-2H]- 244.00499 146.6
[M]+ 223.02977 152.2
[M]- 223.03087 152.2
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.