CID 3033173

60548-27-8

Structural Information

Molecular Formula
C14H16FNO
SMILES
C/C(=C(/C)\C(=O)NC1CC1)/C2=CC=C(C=C2)F
InChI
InChI=1S/C14H16FNO/c1-9(11-3-5-12(15)6-4-11)10(2)14(17)16-13-7-8-13/h3-6,13H,7-8H2,1-2H3,(H,16,17)/b10-9+
InChIKey
MJYSWKKWNFPKJU-MDZDMXLPSA-N
Compound name
(E)-N-cyclopropyl-3-(4-fluorophenyl)-2-methylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.1216 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.12888 147.4
[M+Na]+ 256.11082 154.6
[M-H]- 232.11432 153.4
[M+NH4]+ 251.15542 160.2
[M+K]+ 272.08476 150.7
[M+H-H2O]+ 216.11886 139.7
[M+HCOO]- 278.11980 168.7
[M+CH3COO]- 292.13545 197.8
[M+Na-2H]- 254.09627 149.4
[M]+ 233.12105 147.0
[M]- 233.12215 147.0
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

No patent data available for this compound.