CID 11229204

797038-32-5

Structural Information

Molecular Formula
C9H14O4
SMILES
CC(C)(C)OC(=O)C1COCC1=O
InChI
InChI=1S/C9H14O4/c1-9(2,3)13-8(11)6-4-12-5-7(6)10/h6H,4-5H2,1-3H3
InChIKey
VAYGRVNWVNMUQL-UHFFFAOYSA-N
Compound name
tert-butyl 4-oxooxolane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

186.0892 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 138.4
[M+Na]+ 209.07842 145.5
[M-H]- 185.08192 142.7
[M+NH4]+ 204.12302 158.9
[M+K]+ 225.05236 146.8
[M+H-H2O]+ 169.08646 134.3
[M+HCOO]- 231.08740 158.7
[M+CH3COO]- 245.10305 179.5
[M+Na-2H]- 207.06387 142.8
[M]+ 186.08865 140.4
[M]- 186.08975 140.4
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