CID 77231406

1-cyclobutyl-1h-pyrazole

Structural Information

Molecular Formula
C7H10N2
SMILES
C1CC(C1)N2C=CC=N2
InChI
InChI=1S/C7H10N2/c1-3-7(4-1)9-6-2-5-8-9/h2,5-7H,1,3-4H2
InChIKey
AXWRKAANHAVLRK-UHFFFAOYSA-N
Compound name
1-cyclobutylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

122.0844 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.09168 118.7
[M+Na]+ 145.07362 125.4
[M-H]- 121.07712 122.5
[M+NH4]+ 140.11822 133.5
[M+K]+ 161.04756 127.1
[M+H-H2O]+ 105.08166 106.8
[M+HCOO]- 167.08260 140.4
[M+CH3COO]- 181.09825 172.8
[M+Na-2H]- 143.05907 125.4
[M]+ 122.08385 125.5
[M]- 122.08495 125.5
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