CID 380175

Nsc665622

Structural Information

Molecular Formula
C16H28N2O
SMILES
C1CCN(C1)CC2CCCC(C2=O)CN3CCCC3
InChI
InChI=1S/C16H28N2O/c19-16-14(12-17-8-1-2-9-17)6-5-7-15(16)13-18-10-3-4-11-18/h14-15H,1-13H2
InChIKey
MWRINUZNYDPFBG-UHFFFAOYSA-N
Compound name
2,6-bis(pyrrolidin-1-ylmethyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.22015 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.22743 168.5
[M+Na]+ 287.20937 170.1
[M-H]- 263.21287 173.4
[M+NH4]+ 282.25397 184.9
[M+K]+ 303.18331 166.8
[M+H-H2O]+ 247.21741 159.1
[M+HCOO]- 309.21835 182.7
[M+CH3COO]- 323.23400 195.4
[M+Na-2H]- 285.19482 163.5
[M]+ 264.21960 159.7
[M]- 264.22070 159.7
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.