CID 3041554

Pyrazole, 3-(2-methyl-1-propenyl)-

Structural Information

Molecular Formula
C7H10N2
SMILES
CC(=CC1=CC=NN1)C
InChI
InChI=1S/C7H10N2/c1-6(2)5-7-3-4-8-9-7/h3-5H,1-2H3,(H,8,9)
InChIKey
WLNPJBFMCCXPLZ-UHFFFAOYSA-N
Compound name
5-(2-methylprop-1-enyl)-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

122.0844 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.09168 126.0
[M+Na]+ 145.07362 133.9
[M-H]- 121.07712 125.6
[M+NH4]+ 140.11822 146.8
[M+K]+ 161.04756 131.7
[M+H-H2O]+ 105.08166 119.4
[M+HCOO]- 167.08260 147.0
[M+CH3COO]- 181.09825 167.4
[M+Na-2H]- 143.05907 131.1
[M]+ 122.08385 123.6
[M]- 122.08495 123.6
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