CID 4379682

69807-82-5

Structural Information

Molecular Formula

C₅H₁₀N₄

SMILES

C1=NN(C=N1)CCCN

InChI

InChI=1S/C5H10N4/c6-2-1-3-9-5-7-4-8-9/h4-5H,1-3,6H2

InChIKey

IXXJEYNOJZNYBD-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 170
Patents: 126.090546 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]+	127.09782	124.5
[M+Na]+	149.07976	132.7
[M-H]-	125.08327	123.6
[M+NH4]+	144.12437	143.9
[M+K]+	165.05370	131.5
[M+H-H2O]+	109.08781	116.4
[M+HCOO]-	171.08875	147.6
[M+CH3COO]-	185.10440	171.8
[M+Na-2H]-	147.06521	131.8
[M]+	126.09000	123.5
[M]-	126.09109	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe