CID 138606950

Tert-butyl 3-(oxiran-2-yl)propanoate

Structural Information

Molecular Formula
C9H16O3
SMILES
CC(C)(C)OC(=O)CCC1CO1
InChI
InChI=1S/C9H16O3/c1-9(2,3)12-8(10)5-4-7-6-11-7/h7H,4-6H2,1-3H3
InChIKey
BUZROJMSFRMRBF-UHFFFAOYSA-N
Compound name
tert-butyl 3-(oxiran-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

172.10994 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 138.9
[M+Na]+ 195.099158 147.5
[M-H]- 171.102664 144.3
[M+NH4]+ 190.143763 153.6
[M+K]+ 211.073098 147.8
[M+H-H2O]+ 155.107200 133.3
[M+HCOO]- 217.108141 159.5
[M+CH3COO]- 231.123791 182.8
[M+Na-2H]- 193.084606 145.6
[M]+ 172.10939142 145.5
[M]- 172.11048858 145.5
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

patents stripe