CID 60948933

N-methyl-n-(2-phenylethyl)prop-2-enamide

Structural Information

Molecular Formula
C12H15NO
SMILES
CN(CCC1=CC=CC=C1)C(=O)C=C
InChI
InChI=1S/C12H15NO/c1-3-12(14)13(2)10-9-11-7-5-4-6-8-11/h3-8H,1,9-10H2,2H3
InChIKey
BIODXFYZGTXTDZ-UHFFFAOYSA-N
Compound name
N-methyl-N-(2-phenylethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

189.11537 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 143.1
[M+Na]+ 212.104588 148.9
[M-H]- 188.108094 147.7
[M+NH4]+ 207.149193 163.0
[M+K]+ 228.078528 147.4
[M+H-H2O]+ 172.112630 136.5
[M+HCOO]- 234.113571 167.9
[M+CH3COO]- 248.129221 189.2
[M+Na-2H]- 210.090036 148.0
[M]+ 189.11482142 143.9
[M]- 189.11591858 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe