CID 3033118

56604-81-0

Structural Information

Molecular Formula
C13H17NO
SMILES
CCNC(=O)/C(=C(\C)/C1=CC=CC=C1)/C
InChI
InChI=1S/C13H17NO/c1-4-14-13(15)11(3)10(2)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3,(H,14,15)/b11-10+
InChIKey
UYLXIECXAARLRA-ZHACJKMWSA-N
Compound name
(E)-N-ethyl-2-methyl-3-phenylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.13829 149.1
[M+Na]+ 226.12023 159.6
[M+NH4]+ 221.16483 156.7
[M+K]+ 242.09417 153.7
[M-H]- 202.12373 151.0
[M+Na-2H]- 224.10568 154.7
[M]+ 203.13046 150.9
[M]- 203.13156 150.9
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.