CID 14777931

3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid

Structural Information

Molecular Formula
C8H13NO3
SMILES
CC(C)(C)C1=NOC(C1)C(=O)O
InChI
InChI=1S/C8H13NO3/c1-8(2,3)6-4-5(7(10)11)12-9-6/h5H,4H2,1-3H3,(H,10,11)
InChIKey
IASVWRHPZYFHDU-UHFFFAOYSA-N
Compound name
3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

171.08954 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 136.1
[M+Na]+ 194.07876 145.3
[M+NH4]+ 189.12336 142.5
[M+K]+ 210.05270 144.6
[M-H]- 170.08226 135.8
[M+Na-2H]- 192.06421 138.7
[M]+ 171.08899 137.0
[M]- 171.09009 137.0
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.