CID 63897186

Tert-butyl oxolane-3-carboxylate

Structural Information

Molecular Formula
C9H16O3
SMILES
CC(C)(C)OC(=O)C1CCOC1
InChI
InChI=1S/C9H16O3/c1-9(2,3)12-8(10)7-4-5-11-6-7/h7H,4-6H2,1-3H3
InChIKey
ZOSNRFYRFHXUIU-UHFFFAOYSA-N
Compound name
tert-butyl oxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
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 138.1
[M+Na]+ 195.099158 144.0
[M-H]- 171.102664 142.0
[M+NH4]+ 190.143763 159.0
[M+K]+ 211.073098 145.5
[M+H-H2O]+ 155.107200 133.7
[M+HCOO]- 217.108141 158.0
[M+CH3COO]- 231.123791 177.1
[M+Na-2H]- 193.084606 142.9
[M]+ 172.10939142 138.9
[M]- 172.11048858 138.9
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