CID 21982383

Oxolane-3-carboxamide

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1COCC1C(=O)N
InChI
InChI=1S/C5H9NO2/c6-5(7)4-1-2-8-3-4/h4H,1-3H2,(H2,6,7)
InChIKey
DUXPFRRFZLRICX-UHFFFAOYSA-N
Compound name
oxolane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

593
Patents

115.06333 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 122.0
[M+Na]+ 138.052548 128.0
[M-H]- 114.056054 125.4
[M+NH4]+ 133.097153 144.1
[M+K]+ 154.026488 129.0
[M+H-H2O]+ 98.060590 116.9
[M+HCOO]- 160.061531 144.7
[M+CH3COO]- 174.077181 168.1
[M+Na-2H]- 136.037996 127.0
[M]+ 115.06278142 118.5
[M]- 115.06387858 118.5
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