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

38
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 148.3
[M+Na]+ 232.14204 156.2
[M-H]- 208.14554 152.2
[M+NH4]+ 227.18664 166.3
[M+K]+ 248.11598 153.1
[M+H-H2O]+ 192.15008 140.6
[M+HCOO]- 254.15102 168.3
[M+CH3COO]- 268.16667 189.5
[M+Na-2H]- 230.12749 148.9
[M]+ 209.15227 144.5
[M]- 209.15337 144.5
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