CID 16076273

2-[2-(1-adamantylmethylamino)ethylamino]butan-1-ol

Structural Information

Molecular Formula
C17H32N2O
SMILES
CCC(CO)NCCNCC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C17H32N2O/c1-2-16(11-20)19-4-3-18-12-17-8-13-5-14(9-17)7-15(6-13)10-17/h13-16,18-20H,2-12H2,1H3
InChIKey
KYZCUQUGFWVEPF-UHFFFAOYSA-N
Compound name
2-[2-(1-adamantylmethylamino)ethylamino]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.25146 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.25874 169.2
[M+Na]+ 303.24068 167.2
[M-H]- 279.24418 161.6
[M+NH4]+ 298.28528 190.6
[M+K]+ 319.21462 163.6
[M+H-H2O]+ 263.24872 162.9
[M+HCOO]- 325.24966 174.4
[M+CH3COO]- 339.26531 174.6
[M+Na-2H]- 301.22613 177.7
[M]+ 280.25091 168.0
[M]- 280.25201 168.0
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.