CID 137698773

2142660-28-2

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

6
Patents

185.08005 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.087326 137.0
[M+Na]+ 208.069268 145.5
[M-H]- 184.072774 138.9
[M+NH4]+ 203.113873 155.5
[M+K]+ 224.043208 141.3
[M+H-H2O]+ 168.077310 134.9
[M+HCOO]- 230.078251 160.8
[M+CH3COO]- 244.093901 177.1
[M+Na-2H]- 206.054716 143.1
[M]+ 185.07950142 138.0
[M]- 185.08059858 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