CID 20072746

14716-92-8

Structural Information

Molecular Formula
C7H9NO3
SMILES
CCCC1=NOC(=C1)C(=O)O
InChI
InChI=1S/C7H9NO3/c1-2-3-5-4-6(7(9)10)11-8-5/h4H,2-3H2,1H3,(H,9,10)
InChIKey
JHEZCMNYXDKGTQ-UHFFFAOYSA-N
Compound name
3-propyl-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

155.05824 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.06552 129.8
[M+Na]+ 178.04746 138.4
[M-H]- 154.05096 131.7
[M+NH4]+ 173.09206 149.4
[M+K]+ 194.02140 138.5
[M+H-H2O]+ 138.05550 124.1
[M+HCOO]- 200.05644 151.9
[M+CH3COO]- 214.07209 172.5
[M+Na-2H]- 176.03291 135.2
[M]+ 155.05769 132.2
[M]- 155.05879 132.2
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