CID 368152

Nsc638501

Structural Information

Molecular Formula
C17H30N2O
SMILES
CN1CCCC(C1CNC23CC4CC(C2)CC(C4)C3)O
InChI
InChI=1S/C17H30N2O/c1-19-4-2-3-16(20)15(19)11-18-17-8-12-5-13(9-17)7-14(6-12)10-17/h12-16,18,20H,2-11H2,1H3
InChIKey
PHPOPQRBQPAMHU-UHFFFAOYSA-N
Compound name
2-[(1-adamantylamino)methyl]-1-methylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2358 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.24308 165.4
[M+Na]+ 301.22502 164.5
[M-H]- 277.22852 159.8
[M+NH4]+ 296.26962 185.8
[M+K]+ 317.19896 160.1
[M+H-H2O]+ 261.23306 156.8
[M+HCOO]- 323.23400 166.6
[M+CH3COO]- 337.24965 170.8
[M+Na-2H]- 299.21047 172.5
[M]+ 278.23525 160.0
[M]- 278.23635 160.0
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.