CID 43810594

661470-61-7

Structural Information

Molecular Formula

C₈H₁₄N₄

SMILES

CN1C=NN=C1C2CCCNC2

InChI

InChI=1S/C8H14N4/c1-12-6-10-11-8(12)7-3-2-4-9-5-7/h6-7,9H,2-5H2,1H3

InChIKey

FJEIRKHYFRMBAB-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 166.12184 Da
Monoisotopic Mass: -0.4
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]+	167.12912	138.4
[M+Na]+	189.11106	145.0
[M-H]-	165.11456	137.7
[M+NH4]+	184.15566	154.3
[M+K]+	205.08500	142.1
[M+H-H2O]+	149.11910	129.0
[M+HCOO]-	211.12004	154.3
[M+CH3COO]-	225.13569	149.3
[M+Na-2H]-	187.09651	142.4
[M]+	166.12129	132.4
[M]-	166.12239	132.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe