CID 11401186

Methyl 3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxylate

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(C)(C)C1=NOC(C1)C(=O)OC
InChI
InChI=1S/C9H15NO3/c1-9(2,3)7-5-6(13-10-7)8(11)12-4/h6H,5H2,1-4H3
InChIKey
HNQQGBGGDREVTM-UHFFFAOYSA-N
Compound name
methyl 3-tert-butyl-4,5-dihydro-1,2-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

185.1052 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.112476 139.9
[M+Na]+ 208.094418 147.7
[M-H]- 184.097924 143.0
[M+NH4]+ 203.139023 159.3
[M+K]+ 224.068358 148.9
[M+H-H2O]+ 168.102460 134.7
[M+HCOO]- 230.103401 159.9
[M+CH3COO]- 244.119051 180.5
[M+Na-2H]- 206.079866 144.8
[M]+ 185.10465142 143.0
[M]- 185.10574858 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.