CID 75355685

4-(1h-1,2,3-triazol-1-yl)butan-1-amine

Structural Information

Molecular Formula

C₆H₁₂N₄

SMILES

C1=CN(N=N1)CCCCN

InChI

InChI=1S/C6H12N4/c7-3-1-2-5-10-6-4-8-9-10/h4,6H,1-3,5,7H2

InChIKey

FXQOTTKAHLPLGZ-UHFFFAOYSA-N

Compound name

4-(triazol-1-yl)butan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 140.1062 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]+	141.113476	129.0
[M+Na]+	163.095418	136.8
[M-H]-	139.098924	127.9
[M+NH4]+	158.140023	147.8
[M+K]+	179.069358	135.3
[M+H-H2O]+	123.103460	120.7
[M+HCOO]-	185.104401	151.7
[M+CH3COO]-	199.120051	174.8
[M+Na-2H]-	161.080866	135.7
[M]+	140.10565142	128.3
[M]-	140.10674858	128.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe