CID 23005312

936940-65-7

Structural Information

Molecular Formula

C₅H₁₀N₄

SMILES

CNCC1=NN=CN1C

InChI

InChI=1S/C5H10N4/c1-6-3-5-8-7-4-9(5)2/h4,6H,3H2,1-2H3

InChIKey

VXKNGTCDCIRERB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 126.090546 Da
Monoisotopic Mass: -1.2
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	124.6
[M+Na]+	149.07976	133.8
[M-H]-	125.08327	124.6
[M+NH4]+	144.12437	144.6
[M+K]+	165.05370	132.9
[M+H-H2O]+	109.08781	116.9
[M+HCOO]-	171.08875	148.3
[M+CH3COO]-	185.10440	173.6
[M+Na-2H]-	147.06521	132.1
[M]+	126.09000	125.0
[M]-	126.09109	125.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe