CID 6366179

3-(4-methoxyphenyl)-n,n-dimethyl-2-butenamide

Structural Information

Molecular Formula
C13H17NO2
SMILES
C/C(=C\C(=O)N(C)C)/C1=CC=C(C=C1)OC
InChI
InChI=1S/C13H17NO2/c1-10(9-13(15)14(2)3)11-5-7-12(16-4)8-6-11/h5-9H,1-4H3/b10-9+
InChIKey
YZEBWZWFZYIDQG-MDZDMXLPSA-N
Compound name
(E)-3-(4-methoxyphenyl)-N,N-dimethylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 150.4
[M+Na]+ 242.11515 156.6
[M-H]- 218.11865 155.4
[M+NH4]+ 237.15975 169.4
[M+K]+ 258.08909 155.9
[M+H-H2O]+ 202.12319 143.8
[M+HCOO]- 264.12413 174.1
[M+CH3COO]- 278.13978 195.6
[M+Na-2H]- 240.10060 152.9
[M]+ 219.12538 152.8
[M]- 219.12648 152.8
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.