CID 9257

1,2,4-triazole

Structural Information

Molecular Formula

C₂H₃N₃

SMILES

C1=NC=NN1

InChI

InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)

InChIKey

NSPMIYGKQJPBQR-UHFFFAOYSA-N

Compound name

1H-1,2,4-triazole

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 986
References: 123516
Patents: 69.0327 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	70.039976	108.8
[M+Na]+	92.021918	120.4
[M+NH4]+	87.066523	116.9
[M+K]+	107.99586	117.1
[M-H]-	68.025424	108.2
[M+Na-2H]-	90.007366	115.7
[M]+	69.032151	110.0
[M]-	69.033249	110.0

Literature stripe

literature stripe

Patent stripe

patents stripe