CID 3033653

2-butenamide, 3-(4-chlorophenyl)-2-methyl-, (e)-

Structural Information

Molecular Formula
C11H12ClNO
SMILES
C/C(=C(/C)\C(=O)N)/C1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H12ClNO/c1-7(8(2)11(13)14)9-3-5-10(12)6-4-9/h3-6H,1-2H3,(H2,13,14)/b8-7+
InChIKey
QHPCRMAWOBQJGS-BQYQJAHWSA-N
Compound name
(E)-3-(4-chlorophenyl)-2-methylbut-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

209.06075 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.06803 145.3
[M+Na]+ 232.04997 157.1
[M+NH4]+ 227.09457 153.3
[M+K]+ 248.02391 151.2
[M-H]- 208.05347 147.1
[M+Na-2H]- 230.03542 150.8
[M]+ 209.06020 147.6
[M]- 209.06130 147.6
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.