CID 121601455

1597687-08-5

Structural Information

Molecular Formula
C8H11NO3
SMILES
CC1(CC(=NO1)C2CC2)C(=O)O
InChI
InChI=1S/C8H11NO3/c1-8(7(10)11)4-6(9-12-8)5-2-3-5/h5H,2-4H2,1H3,(H,10,11)
InChIKey
PVNQAZNJBMNQGG-UHFFFAOYSA-N
Compound name
3-cyclopropyl-5-methyl-4H-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.0739 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.081176 135.1
[M+Na]+ 192.063118 145.0
[M-H]- 168.066624 141.1
[M+NH4]+ 187.107723 151.1
[M+K]+ 208.037058 144.4
[M+H-H2O]+ 152.071160 129.9
[M+HCOO]- 214.072101 155.2
[M+CH3COO]- 228.087751 177.6
[M+Na-2H]- 190.048566 140.6
[M]+ 169.07335142 138.3
[M]- 169.07444858 138.3
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.