CID 23300060

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

Structural Information

Molecular Formula
C7H10N2
SMILES
CN1C=CC(=N1)C2CC2
InChI
InChI=1S/C7H10N2/c1-9-5-4-7(8-9)6-2-3-6/h4-6H,2-3H2,1H3
InChIKey
SLCCNZAJZZHXSD-UHFFFAOYSA-N
Compound name
3-cyclopropyl-1-methylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

172
Patents

122.0844 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.091676 128.2
[M+Na]+ 145.073618 139.3
[M-H]- 121.077124 133.4
[M+NH4]+ 140.118223 145.0
[M+K]+ 161.047558 136.6
[M+H-H2O]+ 105.081660 120.8
[M+HCOO]- 167.082601 151.9
[M+CH3COO]- 181.098251 142.4
[M+Na-2H]- 143.059066 134.3
[M]+ 122.08385142 130.4
[M]- 122.08494858 130.4
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