CID 23361715

91367-90-7

Structural Information

Molecular Formula
C6H7NO3
SMILES
CC1=C(ON=C1C)C(=O)O
InChI
InChI=1S/C6H7NO3/c1-3-4(2)7-10-5(3)6(8)9/h1-2H3,(H,8,9)
InChIKey
AYRXTAVFKKHROS-UHFFFAOYSA-N
Compound name
3,4-dimethyl-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

141.04259 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 124.4
[M+Na]+ 164.03181 134.4
[M-H]- 140.03531 126.9
[M+NH4]+ 159.07641 144.9
[M+K]+ 180.00575 134.7
[M+H-H2O]+ 124.03985 119.3
[M+HCOO]- 186.04079 146.8
[M+CH3COO]- 200.05644 170.6
[M+Na-2H]- 162.01726 129.7
[M]+ 141.04204 126.9
[M]- 141.04314 126.9
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