CID 20185008

4369-58-8

Structural Information

Molecular Formula

C₅H₁₀N₄

SMILES

C1=CN(N=N1)CCCN

InChI

InChI=1S/C5H10N4/c6-2-1-4-9-5-3-7-8-9/h3,5H,1-2,4,6H2

InChIKey

MRAPXKXFUVKPFR-UHFFFAOYSA-N

Compound name

3-(triazol-1-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 126.090546 Da
Monoisotopic Mass: -1.0
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]+	127.097822	124.5
[M+Na]+	149.079764	132.7
[M-H]-	125.083270	123.6
[M+NH4]+	144.124369	143.9
[M+K]+	165.053704	131.5
[M+H-H2O]+	109.087806	116.4
[M+HCOO]-	171.088747	147.6
[M+CH3COO]-	185.104397	171.8
[M+Na-2H]-	147.065212	131.8
[M]+	126.08999742	123.5
[M]-	126.09109458	123.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe