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]+ 190.12265 143.1
[M+Na]+ 212.10459 148.9
[M-H]- 188.10809 147.7
[M+NH4]+ 207.14919 163.0
[M+K]+ 228.07853 147.4
[M+H-H2O]+ 172.11263 136.5
[M+HCOO]- 234.11357 167.9
[M+CH3COO]- 248.12922 189.2
[M+Na-2H]- 210.09004 148.0
[M]+ 189.11482 143.9
[M]- 189.11592 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

No literature data available for this compound.

Patent stripe

patents stripe