CID 2805660

Maybridge3_001280

Structural Information

Molecular Formula

C₉H₁₃N₅

SMILES

CC1=CN=NN1C2=C(N(N=C2C)C)C

InChI

InChI=1S/C9H13N5/c1-6-5-10-12-14(6)9-7(2)11-13(4)8(9)3/h5H,1-4H3

InChIKey

HMYPRNRPYXKLOU-UHFFFAOYSA-N

Compound name

5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)triazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 191.1171 Da
Monoisotopic Mass: 0.9
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]+	192.124376	140.9
[M+Na]+	214.106318	154.4
[M-H]-	190.109824	143.1
[M+NH4]+	209.150923	158.4
[M+K]+	230.080258	151.4
[M+H-H2O]+	174.114360	132.1
[M+HCOO]-	236.115301	163.2
[M+CH3COO]-	250.130951	155.0
[M+Na-2H]-	212.091766	143.8
[M]+	191.11655142	145.5
[M]-	191.11764858	145.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.