CID 67516

Triazoles

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
5
Annotation Hits

29355
References

165426
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

literature stripe

Patent stripe

patents stripe