CID 543220

Ethyl 3-propyloxirane-2-carboxylate

Structural Information

Molecular Formula
C8H14O3
SMILES
CCCC1C(O1)C(=O)OCC
InChI
InChI=1S/C8H14O3/c1-3-5-6-7(11-6)8(9)10-4-2/h6-7H,3-5H2,1-2H3
InChIKey
MRUCFECRMITDHC-UHFFFAOYSA-N
Compound name
ethyl 3-propyloxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

158.0943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 134.7
[M+Na]+ 181.083518 144.2
[M-H]- 157.087024 140.3
[M+NH4]+ 176.128123 150.0
[M+K]+ 197.057458 144.1
[M+H-H2O]+ 141.091560 128.7
[M+HCOO]- 203.092501 157.0
[M+CH3COO]- 217.108151 181.4
[M+Na-2H]- 179.068966 140.5
[M]+ 158.09375142 141.8
[M]- 158.09484858 141.8
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