CID 368153

Nsc638502

Structural Information

Molecular Formula
C17H30N2O
SMILES
CN(CC1C(CCCN1)O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C17H30N2O/c1-19(11-15-16(20)3-2-4-18-15)17-8-12-5-13(9-17)7-14(6-12)10-17/h12-16,18,20H,2-11H2,1H3
InChIKey
SMEQDMDVBRCDML-UHFFFAOYSA-N
Compound name
2-[[1-adamantyl(methyl)amino]methyl]piperidin-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]+ 279.243076 165.0
[M+Na]+ 301.225018 162.8
[M-H]- 277.228524 159.0
[M+NH4]+ 296.269623 185.0
[M+K]+ 317.198958 159.0
[M+H-H2O]+ 261.233060 156.5
[M+HCOO]- 323.234001 165.2
[M+CH3COO]- 337.249651 170.0
[M+Na-2H]- 299.210466 171.6
[M]+ 278.23525142 158.6
[M]- 278.23634858 158.6
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.