CID 137698773

1-methyl-4-nitro-3-(propan-2-yloxy)-1h-pyrazole

Structural Information

Molecular Formula
C7H11N3O3
SMILES
CC(C)OC1=NN(C=C1[N+](=O)[O-])C
InChI
InChI=1S/C7H11N3O3/c1-5(2)13-7-6(10(11)12)4-9(3)8-7/h4-5H,1-3H3
InChIKey
HRSGYKLMWRWVCM-UHFFFAOYSA-N
Compound name
1-methyl-4-nitro-3-propan-2-yloxypyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

185.08005 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.08733 137.0
[M+Na]+ 208.06927 145.5
[M-H]- 184.07277 138.9
[M+NH4]+ 203.11387 155.5
[M+K]+ 224.04321 141.3
[M+H-H2O]+ 168.07731 134.9
[M+HCOO]- 230.07825 160.8
[M+CH3COO]- 244.09390 177.1
[M+Na-2H]- 206.05472 143.1
[M]+ 185.07950 138.0
[M]- 185.08060 138.0
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