CID 62695120

1248267-53-9

Structural Information

Molecular Formula

C₅H₁₀N₄

SMILES

CC(C)N1C=NN=C1N

InChI

InChI=1S/C5H10N4/c1-4(2)9-3-7-8-5(9)6/h3-4H,1-2H3,(H2,6,8)

InChIKey

CKEOLAXSCNIKJR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 126.090546 Da
Monoisotopic Mass: -0.2
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	125.5
[M+Na]+	149.07976	134.5
[M-H]-	125.08327	125.2
[M+NH4]+	144.12437	145.2
[M+K]+	165.05370	133.6
[M+H-H2O]+	109.08781	117.9
[M+HCOO]-	171.08875	147.6
[M+CH3COO]-	185.10440	173.7
[M+Na-2H]-	147.06521	130.8
[M]+	126.09000	124.3
[M]-	126.09109	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe