CID 57060901

3-cyclopropyl-4-methyl-1h-pyrazole

Structural Information

Molecular Formula
C7H10N2
SMILES
CC1=C(NN=C1)C2CC2
InChI
InChI=1S/C7H10N2/c1-5-4-8-9-7(5)6-2-3-6/h4,6H,2-3H2,1H3,(H,8,9)
InChIKey
GAIQMHKWAAELJX-UHFFFAOYSA-N
Compound name
5-cyclopropyl-4-methyl-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

122.0844 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.091676 127.4
[M+Na]+ 145.073618 138.1
[M-H]- 121.077124 131.3
[M+NH4]+ 140.118223 143.5
[M+K]+ 161.047558 134.4
[M+H-H2O]+ 105.081660 120.3
[M+HCOO]- 167.082601 149.7
[M+CH3COO]- 181.098251 141.0
[M+Na-2H]- 143.059066 133.1
[M]+ 122.08385142 127.8
[M]- 122.08494858 127.8
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