CID 16076693

5-[2-(1-adamantylmethylamino)ethylamino]pentan-1-ol

Structural Information

Molecular Formula
C18H34N2O
SMILES
C1C2CC3CC1CC(C2)(C3)CNCCNCCCCCO
InChI
InChI=1S/C18H34N2O/c21-7-3-1-2-4-19-5-6-20-14-18-11-15-8-16(12-18)10-17(9-15)13-18/h15-17,19-21H,1-14H2
InChIKey
PBYAWUPUNHYLQS-UHFFFAOYSA-N
Compound name
5-[2-(1-adamantylmethylamino)ethylamino]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.26712 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.27440 171.5
[M+Na]+ 317.25634 169.3
[M-H]- 293.25984 163.7
[M+NH4]+ 312.30094 192.3
[M+K]+ 333.23028 165.0
[M+H-H2O]+ 277.26438 164.7
[M+HCOO]- 339.26532 177.4
[M+CH3COO]- 353.28097 176.7
[M+Na-2H]- 315.24179 180.8
[M]+ 294.26657 171.2
[M]- 294.26767 171.2
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.