CID 557772

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

Structural Information

Molecular Formula
C5H10N2
SMILES
CC1(CC=NN1)C
InChI
InChI=1S/C5H10N2/c1-5(2)3-4-6-7-5/h4,7H,3H2,1-2H3
InChIKey
FLYZAKYDSFYRRD-UHFFFAOYSA-N
Compound name
5,5-dimethyl-1,4-dihydropyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

98.0844 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.091676 118.3
[M+Na]+ 121.07362 126.8
[M-H]- 97.077124 118.0
[M+NH4]+ 116.11822 142.0
[M+K]+ 137.04756 125.7
[M+H-H2O]+ 81.081660 112.7
[M+HCOO]- 143.08260 139.4
[M+CH3COO]- 157.09825 162.1
[M+Na-2H]- 119.05907 125.8
[M]+ 98.083851 115.4
[M]- 98.084949 115.4
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