CID 75470323

1798001-98-5

Structural Information

Molecular Formula

C₅H₁₀N₄

SMILES

CC(C1=NN(C=N1)C)N

InChI

InChI=1S/C5H10N4/c1-4(6)5-7-3-9(2)8-5/h3-4H,6H2,1-2H3

InChIKey

DWCRLOOUYKVCHQ-UHFFFAOYSA-N

Compound name

1-(1-methyl-1,2,4-triazol-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 126.090546 Da
Monoisotopic Mass: -0.7
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	124.9
[M+Na]+	149.07976	135.3
[M+NH4]+	144.12437	132.1
[M+K]+	165.05370	132.9
[M-H]-	125.08327	124.7
[M+Na-2H]-	147.06521	130.0
[M]+	126.09000	126.0
[M]-	126.09109	126.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe