CID 137944181

2365420-10-4

Structural Information

Molecular Formula
C6H9NO3
SMILES
CC1(CC(=NO1)C(=O)O)C
InChI
InChI=1S/C6H9NO3/c1-6(2)3-4(5(8)9)7-10-6/h3H2,1-2H3,(H,8,9)
InChIKey
FPWQPKPVCVGONH-UHFFFAOYSA-N
Compound name
5,5-dimethyl-4H-1,2-oxazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 125.2
[M+Na]+ 166.04746 134.2
[M-H]- 142.05096 127.4
[M+NH4]+ 161.09206 147.3
[M+K]+ 182.02140 135.0
[M+H-H2O]+ 126.05550 120.9
[M+HCOO]- 188.05644 146.2
[M+CH3COO]- 202.07209 169.4
[M+Na-2H]- 164.03291 131.6
[M]+ 143.05769 126.2
[M]- 143.05879 126.2
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