CID 53534829

2155856-27-0

Structural Information

Molecular Formula

C₅H₁₀N₄

SMILES

CC1=NC(=NN1)CNC

InChI

InChI=1S/C5H10N4/c1-4-7-5(3-6-2)9-8-4/h6H,3H2,1-2H3,(H,7,8,9)

InChIKey

LHMZYMGVGMFPFJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 126.090546 Da
Monoisotopic Mass: -0.2
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	125.0
[M+Na]+	149.07976	135.5
[M+NH4]+	144.12437	132.1
[M+K]+	165.05370	132.4
[M-H]-	125.08327	124.7
[M+Na-2H]-	147.06521	130.4
[M]+	126.09000	126.1
[M]-	126.09109	126.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe