CID 67516

1h-1,2,3-triazole

Structural Information

Molecular Formula
C2H3N3
SMILES
C1=NNN=C1
InChI
InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)
InChIKey
QWENRTYMTSOGBR-UHFFFAOYSA-N
Compound name
2H-triazole
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

29485
References

155146
Patents

69.0327 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 70.039976 108.0
[M+Na]+ 92.021918 117.0
[M-H]- 68.025424 106.2
[M+NH4]+ 87.066523 129.1
[M+K]+ 107.99586 116.2
[M+H-H2O]+ 52.029960 100.9
[M+HCOO]- 114.03090 130.1
[M+CH3COO]- 128.04655 122.2
[M+Na-2H]- 90.007366 117.6
[M]+ 69.032151 105.3
[M]- 69.033249 105.3
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.