CID 80494983

2375259-02-0

Structural Information

Molecular Formula

C₆H₁₂N₄

SMILES

CC(C)C(C1=NNN=C1)N

InChI

InChI=1S/C6H12N4/c1-4(2)6(7)5-3-8-10-9-5/h3-4,6H,7H2,1-2H3,(H,8,9,10)

InChIKey

LNIXWHZGFOEORC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 140.1062 Da
Monoisotopic Mass: -0.1
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]+	141.11348	131.2
[M+Na]+	163.09542	138.0
[M-H]-	139.09892	129.1
[M+NH4]+	158.14002	149.2
[M+K]+	179.06936	136.6
[M+H-H2O]+	123.10346	123.4
[M+HCOO]-	185.10440	150.5
[M+CH3COO]-	199.12005	173.9
[M+Na-2H]-	161.08087	135.0
[M]+	140.10565	127.4
[M]-	140.10675	127.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe