CID 138528

5519-42-6

Structural Information

Molecular Formula
C6H10N2
SMILES
CC1=C(NN=C1C)C
InChI
InChI=1S/C6H10N2/c1-4-5(2)7-8-6(4)3/h1-3H3,(H,7,8)
InChIKey
HUVAAOZUPLEYBH-UHFFFAOYSA-N
Compound name
3,4,5-trimethyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1163
Patents

110.0844 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.091676 120.9
[M+Na]+ 133.073618 131.2
[M-H]- 109.077124 121.3
[M+NH4]+ 128.118223 143.0
[M+K]+ 149.047558 129.3
[M+H-H2O]+ 93.081660 115.1
[M+HCOO]- 155.082601 143.1
[M+CH3COO]- 169.098251 167.4
[M+Na-2H]- 131.059066 126.5
[M]+ 110.08385142 120.4
[M]- 110.08494858 120.4
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