CID 18989700

2-(1,2-oxazol-3-yl)propanoic acid

Structural Information

Molecular Formula
C6H7NO3
SMILES
CC(C1=NOC=C1)C(=O)O
InChI
InChI=1S/C6H7NO3/c1-4(6(8)9)5-2-3-10-7-5/h2-4H,1H3,(H,8,9)
InChIKey
CJBPVMIDKJJCES-UHFFFAOYSA-N
Compound name
2-(1,2-oxazol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

141.04259 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 126.0
[M+Na]+ 164.03181 133.9
[M-H]- 140.03531 127.9
[M+NH4]+ 159.07641 145.8
[M+K]+ 180.00575 134.7
[M+H-H2O]+ 124.03985 120.3
[M+HCOO]- 186.04079 147.4
[M+CH3COO]- 200.05644 169.2
[M+Na-2H]- 162.01726 131.4
[M]+ 141.04204 127.1
[M]- 141.04314 127.1
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