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 145.2
[M+Na]+ 232.04997 152.5
[M-H]- 208.05347 148.4
[M+NH4]+ 227.09457 164.4
[M+K]+ 248.02391 148.4
[M+H-H2O]+ 192.05801 140.4
[M+HCOO]- 254.05895 162.7
[M+CH3COO]- 268.07460 188.7
[M+Na-2H]- 230.03542 146.7
[M]+ 209.06020 144.6
[M]- 209.06130 144.6
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.