CID 820993

N-methyl-4-(p-formylstyryl)pyridinium methylsulfate

Structural Information

Molecular Formula
C15H14NO
SMILES
C[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C=O
InChI
InChI=1S/C15H14NO/c1-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13/h2-12H,1H3/q+1/b3-2+
InChIKey
RYLOLRAYISQACV-NSCUHMNNSA-N
Compound name
4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

224.10754 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.11482 152.6
[M+Na]+ 247.09676 161.2
[M-H]- 223.10026 158.4
[M+NH4]+ 242.14136 169.3
[M+K]+ 263.07070 150.8
[M+H-H2O]+ 207.10480 147.3
[M+HCOO]- 269.10574 175.6
[M+CH3COO]- 283.12139 182.9
[M+Na-2H]- 245.08221 160.8
[M]+ 224.10699 152.0
[M]- 224.10809 152.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe