CID 5705329

26567-78-2

Structural Information

Molecular Formula
C11H13NO
SMILES
C/C(=C/C(=O)C)/NC1=CC=CC=C1
InChI
InChI=1S/C11H13NO/c1-9(8-10(2)13)12-11-6-4-3-5-7-11/h3-8,12H,1-2H3/b9-8-
InChIKey
JLTWHWBUKGOPLH-HJWRWDBZSA-N
Compound name
(Z)-4-anilinopent-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

175.09972 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 139.0
[M+Na]+ 198.088938 144.8
[M-H]- 174.092444 142.4
[M+NH4]+ 193.133543 158.7
[M+K]+ 214.062878 142.7
[M+H-H2O]+ 158.096980 132.9
[M+HCOO]- 220.097921 162.6
[M+CH3COO]- 234.113571 183.5
[M+Na-2H]- 196.074386 144.0
[M]+ 175.09917142 137.6
[M]- 175.10026858 137.6
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

patents stripe