CID 11194497

34900-01-1

Structural Information

Molecular Formula
C10H11NO
SMILES
CN(/C=C/C=O)C1=CC=CC=C1
InChI
InChI=1S/C10H11NO/c1-11(8-5-9-12)10-6-3-2-4-7-10/h2-9H,1H3/b8-5+
InChIKey
YLMOTKLYENPQLK-VMPITWQZSA-N
Compound name
(E)-3-(N-methylanilino)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

161.08406 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.091336 133.3
[M+Na]+ 184.073278 140.3
[M-H]- 160.076784 138.2
[M+NH4]+ 179.117883 154.4
[M+K]+ 200.047218 138.8
[M+H-H2O]+ 144.081320 127.0
[M+HCOO]- 206.082261 159.8
[M+CH3COO]- 220.097911 182.2
[M+Na-2H]- 182.058726 140.6
[M]+ 161.08351142 134.1
[M]- 161.08460858 134.1
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