CID 64157623

3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C10H13NO3
SMILES
CC1=C(C(=NO1)C2CCCC2)C(=O)O
InChI
InChI=1S/C10H13NO3/c1-6-8(10(12)13)9(11-14-6)7-4-2-3-5-7/h7H,2-5H2,1H3,(H,12,13)
InChIKey
SAUQFOSCXZJZTK-UHFFFAOYSA-N
Compound name
3-cyclopentyl-5-methyl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.08954 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.09682 141.6
[M+Na]+ 218.07876 148.9
[M-H]- 194.08226 146.6
[M+NH4]+ 213.12336 161.1
[M+K]+ 234.05270 148.4
[M+H-H2O]+ 178.08680 135.9
[M+HCOO]- 240.08774 162.0
[M+CH3COO]- 254.10339 179.5
[M+Na-2H]- 216.06421 142.7
[M]+ 195.08899 141.0
[M]- 195.09009 141.0
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.