CID 558148

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

Structural Information

Molecular Formula
C5H10N2
SMILES
CC1C=NNC1C
InChI
InChI=1S/C5H10N2/c1-4-3-6-7-5(4)2/h3-5,7H,1-2H3
InChIKey
SOAGQMUXRXXXPM-UHFFFAOYSA-N
Compound name
4,5-dimethyl-4,5-dihydro-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

98.0844 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.091676 119.0
[M+Na]+ 121.073618 127.6
[M-H]- 97.077124 118.7
[M+NH4]+ 116.118223 141.1
[M+K]+ 137.047558 126.3
[M+H-H2O]+ 81.081660 113.0
[M+HCOO]- 143.082601 140.0
[M+CH3COO]- 157.098251 163.6
[M+Na-2H]- 119.059066 124.7
[M]+ 98.08385142 116.2
[M]- 98.08494858 116.2
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

patents stripe