CID 123047

1,2,3-triazine

Structural Information

Molecular Formula
C3H3N3
SMILES
C1=CN=NN=C1
InChI
InChI=1S/C3H3N3/c1-2-4-6-5-3-1/h1-3H
InChIKey
JYEUMXHLPRZUAT-UHFFFAOYSA-N
Compound name
triazine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16435
References

92446
Patents

81.0327 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 82.039976 110.2
[M+Na]+ 104.02192 119.4
[M-H]- 80.025424 109.8
[M+NH4]+ 99.066523 129.8
[M+K]+ 119.99586 118.7
[M+H-H2O]+ 64.029960 102.8
[M+HCOO]- 126.03090 132.7
[M+CH3COO]- 140.04655 160.6
[M+Na-2H]- 102.00737 122.7
[M]+ 81.032151 109.1
[M]- 81.033249 109.1
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