CID 61273021

4-amino-2-cyclohexyl-1,5-dimethyl-2,3-dihydro-1h-pyrazol-3-one dihydrochloride

Structural Information

Molecular Formula
C11H19N3O
SMILES
CC1=C(C(=O)N(N1C)C2CCCCC2)N
InChI
InChI=1S/C11H19N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h9H,3-7,12H2,1-2H3
InChIKey
APQOOJSYNFLVKA-UHFFFAOYSA-N
Compound name
4-amino-2-cyclohexyl-1,5-dimethylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

209.15282 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.16010 148.4
[M+Na]+ 232.14204 159.2
[M+NH4]+ 227.18664 155.9
[M+K]+ 248.11598 155.4
[M-H]- 208.14554 150.9
[M+Na-2H]- 230.12749 153.1
[M]+ 209.15227 150.3
[M]- 209.15337 150.3
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