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]+ 218.15395 153.5
[M+Na]+ 240.13589 157.8
[M-H]- 216.13939 156.4
[M+NH4]+ 235.18049 171.5
[M+K]+ 256.10983 155.4
[M+H-H2O]+ 200.14393 146.9
[M+HCOO]- 262.14487 175.1
[M+CH3COO]- 276.16052 192.8
[M+Na-2H]- 238.12134 155.5
[M]+ 217.14612 152.4
[M]- 217.14722 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.