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: 145
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	124.6
[M+Na]+	149.07976	135.0
[M+NH4]+	144.12437	131.9
[M+K]+	165.05370	131.6
[M-H]-	125.08327	124.6
[M+Na-2H]-	147.06521	130.4
[M]+	126.09000	125.7
[M]-	126.09109	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe