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

31
Patents

122.0844 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.09168 127.4
[M+Na]+ 145.07362 138.1
[M-H]- 121.07712 131.3
[M+NH4]+ 140.11822 143.5
[M+K]+ 161.04756 134.4
[M+H-H2O]+ 105.08166 120.3
[M+HCOO]- 167.08260 149.7
[M+CH3COO]- 181.09825 141.0
[M+Na-2H]- 143.05907 133.1
[M]+ 122.08385 127.8
[M]- 122.08495 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