CID 143967868

2649047-25-4

Structural Information

Molecular Formula
C6H9NO3
SMILES
CC1C(C(=NO1)C)C(=O)O
InChI
InChI=1S/C6H9NO3/c1-3-5(6(8)9)4(2)10-7-3/h4-5H,1-2H3,(H,8,9)
InChIKey
SAKKOZUNJRHWPH-UHFFFAOYSA-N
Compound name
3,5-dimethyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.05824 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 126.4
[M+Na]+ 166.04746 135.3
[M-H]- 142.05096 128.5
[M+NH4]+ 161.09206 146.7
[M+K]+ 182.02140 135.9
[M+H-H2O]+ 126.05550 121.3
[M+HCOO]- 188.05644 147.3
[M+CH3COO]- 202.07209 171.0
[M+Na-2H]- 164.03291 130.7
[M]+ 143.05769 127.4
[M]- 143.05879 127.4
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.