CID 3033174

60548-28-9

Structural Information

Molecular Formula
C14H16ClNO
SMILES
C/C(=C(/C)\C(=O)NC1CC1)/C2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H16ClNO/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
SDHSWSFAQOTVMR-MDZDMXLPSA-N
Compound name
(E)-3-(4-chlorophenyl)-N-cyclopropyl-2-methylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

249.09204 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09932 150.6
[M+Na]+ 272.08126 158.3
[M-H]- 248.08476 157.7
[M+NH4]+ 267.12586 163.6
[M+K]+ 288.05520 153.2
[M+H-H2O]+ 232.08930 144.7
[M+HCOO]- 294.09024 168.6
[M+CH3COO]- 308.10589 198.8
[M+Na-2H]- 270.06671 152.7
[M]+ 249.09149 153.3
[M]- 249.09259 153.3
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.