CID 82412955

1368098-73-0

Structural Information

Molecular Formula
C8H11NO3
SMILES
CC1=NOC(=C1)CCCC(=O)O
InChI
InChI=1S/C8H11NO3/c1-6-5-7(12-9-6)3-2-4-8(10)11/h5H,2-4H2,1H3,(H,10,11)
InChIKey
JGDNWRXFTCHCBR-UHFFFAOYSA-N
Compound name
4-(3-methyl-1,2-oxazol-5-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.08118 134.5
[M+Na]+ 192.06312 142.7
[M-H]- 168.06662 136.3
[M+NH4]+ 187.10772 153.5
[M+K]+ 208.03706 142.5
[M+H-H2O]+ 152.07116 128.7
[M+HCOO]- 214.07210 156.3
[M+CH3COO]- 228.08775 175.5
[M+Na-2H]- 190.04857 139.4
[M]+ 169.07335 137.3
[M]- 169.07445 137.3
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

No patent data available for this compound.