CID 549780

5-methyl-4,5-dihydro-1h-pyrazole

Structural Information

Molecular Formula
C4H8N2
SMILES
CC1CC=NN1
InChI
InChI=1S/C4H8N2/c1-4-2-3-5-6-4/h3-4,6H,2H2,1H3
InChIKey
KDTSAMBCRXSULF-UHFFFAOYSA-N
Compound name
5-methyl-4,5-dihydro-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

141
Patents

84.06875 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.076026 114.8
[M+Na]+ 107.05797 122.8
[M-H]- 83.061474 114.2
[M+NH4]+ 102.10257 137.0
[M+K]+ 123.03191 121.8
[M+H-H2O]+ 67.066010 108.5
[M+HCOO]- 129.06695 136.1
[M+CH3COO]- 143.08260 159.5
[M+Na-2H]- 105.04342 121.7
[M]+ 84.068201 111.2
[M]- 84.069299 111.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.