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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	186.08733	136.7
[M+Na]+	208.06927	147.9
[M+NH4]+	203.11387	143.2
[M+K]+	224.04321	148.4
[M-H]-	184.07277	137.2
[M+Na-2H]-	206.05472	140.6
[M]+	185.07950	138.0
[M]-	185.08060	138.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe