CID 53403815

36190-03-1

Structural Information

Molecular Formula
C7H9NO3
SMILES
CCCC1=NC(=CO1)C(=O)O
InChI
InChI=1S/C7H9NO3/c1-2-3-6-8-5(4-11-6)7(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKey
FTDYCDRLDRQBBE-UHFFFAOYSA-N
Compound name
2-propyl-1,3-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
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

literature stripe

Patent stripe

patents stripe