CID 33717

3-((n-ethylcyclohexylamino)methyl)-2-bornanone hydrochloride

Structural Information

Molecular Formula
C19H33NO
SMILES
CCN(CC1C2CCC(C1=O)(C2(C)C)C)C3CCCCC3
InChI
InChI=1S/C19H33NO/c1-5-20(14-9-7-6-8-10-14)13-15-16-11-12-19(4,17(15)21)18(16,2)3/h14-16H,5-13H2,1-4H3
InChIKey
NGBXLYKVPMYFTL-UHFFFAOYSA-N
Compound name
3-[[cyclohexyl(ethyl)amino]methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.25623 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.26351 174.4
[M+Na]+ 314.24545 178.6
[M-H]- 290.24895 180.5
[M+NH4]+ 309.29005 199.4
[M+K]+ 330.21939 175.2
[M+H-H2O]+ 274.25349 169.3
[M+HCOO]- 336.25443 191.2
[M+CH3COO]- 350.27008 210.1
[M+Na-2H]- 312.23090 172.8
[M]+ 291.25568 171.7
[M]- 291.25678 171.7
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

No patent data available for this compound.