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
1
Annotation Hits

2
References

3088
Patents

110.0844 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.09168 119.8
[M+Na]+ 133.07362 130.4
[M-H]- 109.07712 121.5
[M+NH4]+ 128.11822 142.5
[M+K]+ 149.04756 129.5
[M+H-H2O]+ 93.081660 113.8
[M+HCOO]- 155.08260 143.5
[M+CH3COO]- 169.09825 170.1
[M+Na-2H]- 131.05907 125.9
[M]+ 110.08385 121.2
[M]- 110.08495 121.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe