CID 6435361

77694-24-7

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]+ 260.128126 159.0
[M+Na]+ 282.110068 165.7
[M-H]- 258.113574 166.4
[M+NH4]+ 277.154673 177.9
[M+K]+ 298.084008 163.5
[M+H-H2O]+ 242.118110 153.0
[M+HCOO]- 304.119051 181.3
[M+CH3COO]- 318.134701 195.6
[M+Na-2H]- 280.095516 162.2
[M]+ 259.12030142 158.8
[M]- 259.12139858 158.8
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.