CID 57177127

1971124-69-2

Structural Information

Molecular Formula

C₅H₁₀N₄

SMILES

C1=NNN=C1CCCN

InChI

InChI=1S/C5H10N4/c6-3-1-2-5-4-7-9-8-5/h4H,1-3,6H2,(H,7,8,9)

InChIKey

IRAYOVGHEWBMFZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 82
Patents: 126.090546 Da
Monoisotopic Mass: -0.7
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	124.9
[M+Na]+	149.07976	134.7
[M+NH4]+	144.12437	131.8
[M+K]+	165.05370	131.7
[M-H]-	125.08327	124.3
[M+Na-2H]-	147.06521	130.1
[M]+	126.09000	125.7
[M]-	126.09109	125.7

Literature stripe

literature stripe

Patent stripe

patents stripe