CID 495483

Nsc656336

Structural Information

Molecular Formula
C16H28N2O
SMILES
C1CNCC(C1O)CNC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C16H28N2O/c19-15-1-2-17-9-14(15)10-18-16-6-11-3-12(7-16)5-13(4-11)8-16/h11-15,17-19H,1-10H2
InChIKey
DEFDSTPDGCDVDS-UHFFFAOYSA-N
Compound name
3-[(1-adamantylamino)methyl]piperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.22015 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.22743 159.5
[M+Na]+ 287.20937 157.9
[M-H]- 263.21287 152.5
[M+NH4]+ 282.25397 179.6
[M+K]+ 303.18331 153.0
[M+H-H2O]+ 247.21741 151.4
[M+HCOO]- 309.21835 159.8
[M+CH3COO]- 323.23400 164.6
[M+Na-2H]- 285.19482 167.6
[M]+ 264.21960 152.0
[M]- 264.22070 152.0
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.