CID 3033125

56604-96-7

Structural Information

Molecular Formula
C14H19NO
SMILES
CCCNC(=O)/C(=C(/C)\C1=CC=CC=C1)/C
InChI
InChI=1S/C14H19NO/c1-4-10-15-14(16)12(3)11(2)13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3,(H,15,16)/b12-11-
InChIKey
CZHLUSGQYSVABS-QXMHVHEDSA-N
Compound name
(Z)-2-methyl-3-phenyl-N-propylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 153.5
[M+Na]+ 240.135888 157.8
[M-H]- 216.139394 156.4
[M+NH4]+ 235.180493 171.5
[M+K]+ 256.109828 155.4
[M+H-H2O]+ 200.143930 146.9
[M+HCOO]- 262.144871 175.1
[M+CH3COO]- 276.160521 192.8
[M+Na-2H]- 238.121336 155.5
[M]+ 217.14612142 152.4
[M]- 217.14721858 152.4
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.