CID 69281522

3-cyclobutyl-4-nitro-1h-pyrazole

Structural Information

Molecular Formula
C7H9N3O2
SMILES
C1CC(C1)C2=C(C=NN2)[N+](=O)[O-]
InChI
InChI=1S/C7H9N3O2/c11-10(12)6-4-8-9-7(6)5-2-1-3-5/h4-5H,1-3H2,(H,8,9)
InChIKey
VJQZQCPFSQEIGU-UHFFFAOYSA-N
Compound name
5-cyclobutyl-4-nitro-1H-pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

167.06947 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.07675 128.8
[M+Na]+ 190.05869 133.9
[M-H]- 166.06219 131.6
[M+NH4]+ 185.10329 140.2
[M+K]+ 206.03263 131.3
[M+H-H2O]+ 150.06673 120.6
[M+HCOO]- 212.06767 149.9
[M+CH3COO]- 226.08332 172.4
[M+Na-2H]- 188.04414 135.5
[M]+ 167.06892 132.5
[M]- 167.07002 132.5
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