CID 14081

1,3,5-trimethylpyrazole

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

CC1=CC(=NN1C)C

InChI

InChI=1S/C6H10N2/c1-5-4-6(2)8(3)7-5/h4H,1-3H3

InChIKey

HNOQAFMOBRWDKQ-UHFFFAOYSA-N

Compound name

1,3,5-trimethylpyrazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 3099
Patents: 110.0844 Da
Monoisotopic Mass: 1.0
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]+	111.091676	119.8
[M+Na]+	133.073618	130.4
[M-H]-	109.077124	121.5
[M+NH4]+	128.118223	142.5
[M+K]+	149.047558	129.5
[M+H-H2O]+	93.081660	113.8
[M+HCOO]-	155.082601	143.5
[M+CH3COO]-	169.098251	170.1
[M+Na-2H]-	131.059066	125.9
[M]+	110.08385142	121.2
[M]-	110.08494858	121.2

Literature stripe

literature stripe

Patent stripe

patents stripe