CID 2756463

22882-41-3

Structural Information

Molecular Formula

C₅H₁₀N₄

SMILES

CC(C)C1=NC(=NN1)N

InChI

InChI=1S/C5H10N4/c1-3(2)4-7-5(6)9-8-4/h3H,1-2H3,(H3,6,7,8,9)

InChIKey

MDLFQCVYROBFIW-UHFFFAOYSA-N

Compound name

5-propan-2-yl-1H-1,2,4-triazol-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 148
Patents: 126.090546 Da
Monoisotopic Mass: 0.8
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]+	127.09782	125.3
[M+Na]+	149.07976	135.1
[M+NH4]+	144.12437	132.1
[M+K]+	165.05370	133.1
[M-H]-	125.08327	124.6
[M+Na-2H]-	147.06521	129.8
[M]+	126.09000	126.0
[M]-	126.09109	126.0

Literature stripe

literature stripe

Patent stripe

patents stripe