CID 118832936

13936-71-5

Structural Information

Molecular Formula
C13H17NO
SMILES
CCN(C1=CC=CC=C1C)C(=O)CC=C
InChI
InChI=1S/C13H17NO/c1-4-8-13(15)14(5-2)12-10-7-6-9-11(12)3/h4,6-7,9-10H,1,5,8H2,2-3H3
InChIKey
NXXVQNLYGNUDLL-UHFFFAOYSA-N
Compound name
N-ethyl-N-(2-methylphenyl)but-3-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 146.9
[M+Na]+ 226.120228 153.3
[M-H]- 202.123734 151.8
[M+NH4]+ 221.164833 166.6
[M+K]+ 242.094168 151.6
[M+H-H2O]+ 186.128270 140.4
[M+HCOO]- 248.129211 171.4
[M+CH3COO]- 262.144861 193.3
[M+Na-2H]- 224.105676 150.7
[M]+ 203.13046142 148.6
[M]- 203.13155858 148.6
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.