CID 170855896

3-(6-methyl-1,2,4,5-tetrazin-3-yl)benzaldehyde

Structural Information

Molecular Formula
C10H8N4O
SMILES
CC1=NN=C(N=N1)C2=CC=CC(=C2)C=O
InChI
InChI=1S/C10H8N4O/c1-7-11-13-10(14-12-7)9-4-2-3-8(5-9)6-15/h2-6H,1H3
InChIKey
OKMMRYFMCLFUGK-UHFFFAOYSA-N
Compound name
3-(6-methyl-1,2,4,5-tetrazin-3-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.06981 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.07709 143.4
[M+Na]+ 223.05903 154.1
[M-H]- 199.06253 145.2
[M+NH4]+ 218.10363 157.1
[M+K]+ 239.03297 149.8
[M+H-H2O]+ 183.06707 133.5
[M+HCOO]- 245.06801 164.0
[M+CH3COO]- 259.08366 155.9
[M+Na-2H]- 221.04448 152.2
[M]+ 200.06926 144.5
[M]- 200.07036 144.5
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

No patent data available for this compound.