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

135
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

literature stripe

Patent stripe

patents stripe