CID 61336968

944896-84-8

Structural Information

Molecular Formula

C₆H₁₂N₄

SMILES

CC(C)C1=NNC(=N1)CN

InChI

InChI=1S/C6H12N4/c1-4(2)6-8-5(3-7)9-10-6/h4H,3,7H2,1-2H3,(H,8,9,10)

InChIKey

FRHFXFXZSQDYBC-UHFFFAOYSA-N

Compound name

(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 140.1062 Da
Monoisotopic Mass: 0.0
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]+	141.113476	130.9
[M+Na]+	163.095418	139.0
[M-H]-	139.098924	129.0
[M+NH4]+	158.140023	149.2
[M+K]+	179.069358	136.9
[M+H-H2O]+	123.103460	123.3
[M+HCOO]-	185.104401	151.1
[M+CH3COO]-	199.120051	174.1
[M+Na-2H]-	161.080866	135.1
[M]+	140.10565142	128.1
[M]-	140.10674858	128.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe