CID 18755235

1092297-60-3

Structural Information

Molecular Formula
C6H7NO3
SMILES
C1=COC(=N1)CCC(=O)O
InChI
InChI=1S/C6H7NO3/c8-6(9)2-1-5-7-3-4-10-5/h3-4H,1-2H2,(H,8,9)
InChIKey
XOVUGONFOXECQL-UHFFFAOYSA-N
Compound name
3-(1,3-oxazol-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

141.04259 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 126.7
[M+Na]+ 164.03181 137.1
[M+NH4]+ 159.07641 133.6
[M+K]+ 180.00575 135.1
[M-H]- 140.03531 127.1
[M+Na-2H]- 162.01726 130.8
[M]+ 141.04204 127.9
[M]- 141.04314 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe