CID 138606950

58114-14-0

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

4
Patents

172.10994 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 138.9
[M+Na]+ 195.09916 147.5
[M-H]- 171.10266 144.3
[M+NH4]+ 190.14376 153.6
[M+K]+ 211.07310 147.8
[M+H-H2O]+ 155.10720 133.3
[M+HCOO]- 217.10814 159.5
[M+CH3COO]- 231.12379 182.8
[M+Na-2H]- 193.08461 145.6
[M]+ 172.10939 145.5
[M]- 172.11049 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