CID 14288020

Tert-butyl oxirane-2-carboxylate

Structural Information

Molecular Formula
C7H12O3
SMILES
CC(C)(C)OC(=O)C1CO1
InChI
InChI=1S/C7H12O3/c1-7(2,3)10-6(8)5-4-9-5/h5H,4H2,1-3H3
InChIKey
DPZMUWXOAMOYDT-UHFFFAOYSA-N
Compound name
tert-butyl oxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

144.07864 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 130.1
[M+Na]+ 167.067858 139.5
[M-H]- 143.071364 135.8
[M+NH4]+ 162.112463 145.8
[M+K]+ 183.041798 140.3
[M+H-H2O]+ 127.075900 124.8
[M+HCOO]- 189.076841 151.3
[M+CH3COO]- 203.092491 177.0
[M+Na-2H]- 165.053306 137.8
[M]+ 144.07809142 136.0
[M]- 144.07918858 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe