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

39
Patents

209.15282 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.160096 148.3
[M+Na]+ 232.142038 156.2
[M-H]- 208.145544 152.2
[M+NH4]+ 227.186643 166.3
[M+K]+ 248.115978 153.1
[M+H-H2O]+ 192.150080 140.6
[M+HCOO]- 254.151021 168.3
[M+CH3COO]- 268.166671 189.5
[M+Na-2H]- 230.127486 148.9
[M]+ 209.15227142 144.5
[M]- 209.15336858 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