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]+ 186.11248 139.9
[M+Na]+ 208.09442 147.7
[M-H]- 184.09792 143.0
[M+NH4]+ 203.13902 159.3
[M+K]+ 224.06836 148.9
[M+H-H2O]+ 168.10246 134.7
[M+HCOO]- 230.10340 159.9
[M+CH3COO]- 244.11905 180.5
[M+Na-2H]- 206.07987 144.8
[M]+ 185.10465 143.0
[M]- 185.10575 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.