CID 6435361

Brn 5542187

Structural Information

Molecular Formula
C15H17NO3
SMILES
CC1(CC(C(=O)O1)NC(=O)/C=C/C2=CC=CC=C2)C
InChI
InChI=1S/C15H17NO3/c1-15(2)10-12(14(18)19-15)16-13(17)9-8-11-6-4-3-5-7-11/h3-9,12H,10H2,1-2H3,(H,16,17)/b9-8+
InChIKey
QMYCQMQTCGEZRJ-CMDGGOBGSA-N
Compound name
(E)-N-(5,5-dimethyl-2-oxooxolan-3-yl)-3-phenylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12085 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.12813 160.5
[M+Na]+ 282.11007 170.7
[M+NH4]+ 277.15467 168.7
[M+K]+ 298.08401 165.0
[M-H]- 258.11357 164.4
[M+Na-2H]- 280.09552 166.6
[M]+ 259.12030 162.9
[M]- 259.12140 162.9
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

No patent data available for this compound.