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

68
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 125.5
[M+Na]+ 164.03181 133.6
[M-H]- 140.03531 127.3
[M+NH4]+ 159.07641 145.3
[M+K]+ 180.00575 134.0
[M+H-H2O]+ 124.03985 119.8
[M+HCOO]- 186.04079 147.9
[M+CH3COO]- 200.05644 168.3
[M+Na-2H]- 162.01726 132.2
[M]+ 141.04204 127.2
[M]- 141.04314 127.2
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