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]+ 170.08118 135.1
[M+Na]+ 192.06312 145.0
[M-H]- 168.06662 141.1
[M+NH4]+ 187.10772 151.1
[M+K]+ 208.03706 144.4
[M+H-H2O]+ 152.07116 129.9
[M+HCOO]- 214.07210 155.2
[M+CH3COO]- 228.08775 177.6
[M+Na-2H]- 190.04857 140.6
[M]+ 169.07335 138.3
[M]- 169.07445 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.