CID 16227840

(5-methyl-2-thien-2-yl-1,3-oxazol-4-yl)acetic acid

Structural Information

Molecular Formula
C10H9NO3S
SMILES
CC1=C(N=C(O1)C2=CC=CS2)CC(=O)O
InChI
InChI=1S/C10H9NO3S/c1-6-7(5-9(12)13)11-10(14-6)8-3-2-4-15-8/h2-4H,5H2,1H3,(H,12,13)
InChIKey
OCDDKCLHRXAOFF-UHFFFAOYSA-N
Compound name
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

223.03032 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.037596 145.9
[M+Na]+ 246.019538 157.1
[M-H]- 222.023044 152.7
[M+NH4]+ 241.064143 165.6
[M+K]+ 261.993478 155.4
[M+H-H2O]+ 206.027580 140.8
[M+HCOO]- 268.028521 166.0
[M+CH3COO]- 282.044171 182.3
[M+Na-2H]- 244.004986 146.6
[M]+ 223.02977142 152.2
[M]- 223.03086858 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

patents stripe