CID 71122

Valofane

Structural Information

Molecular Formula
C10H14N2O4
SMILES
CC1CC(C(=O)O1)(CC=C)C(=O)NC(=O)N
InChI
InChI=1S/C10H14N2O4/c1-3-4-10(7(13)12-9(11)15)5-6(2)16-8(10)14/h3,6H,1,4-5H2,2H3,(H3,11,12,13,15)
InChIKey
LVJAHKSVOQLCEV-UHFFFAOYSA-N
Compound name
N-carbamoyl-5-methyl-2-oxo-3-prop-2-enyloxolane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

6
References

217
Patents

226.09535 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.102626 148.7
[M+Na]+ 249.084568 155.0
[M-H]- 225.088074 152.4
[M+NH4]+ 244.129173 168.3
[M+K]+ 265.058508 154.7
[M+H-H2O]+ 209.092610 144.0
[M+HCOO]- 271.093551 170.7
[M+CH3COO]- 285.109201 191.8
[M+Na-2H]- 247.070016 150.6
[M]+ 226.09480142 147.4
[M]- 226.09589858 147.4
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