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

9
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 138.1
[M+Na]+ 195.09916 144.0
[M-H]- 171.10266 142.0
[M+NH4]+ 190.14376 159.0
[M+K]+ 211.07310 145.5
[M+H-H2O]+ 155.10720 133.7
[M+HCOO]- 217.10814 158.0
[M+CH3COO]- 231.12379 177.1
[M+Na-2H]- 193.08461 142.9
[M]+ 172.10939 138.9
[M]- 172.11049 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