CID 16076695

5-[2-[[(1s,2r,5s)-6,6-dimethylnorpinan-2-yl]methylamino]ethylamino]pentan-1-ol

Structural Information

Molecular Formula
C17H34N2O
SMILES
CC1([C@H]2CC[C@H]([C@@H]1C2)CNCCNCCCCCO)C
InChI
InChI=1S/C17H34N2O/c1-17(2)15-7-6-14(16(17)12-15)13-19-10-9-18-8-4-3-5-11-20/h14-16,18-20H,3-13H2,1-2H3/t14-,15-,16-/m0/s1
InChIKey
TUMZWCNNNVTZDV-JYJNAYRXSA-N
Compound name
5-[2-[[(1S,2R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methylamino]ethylamino]pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.26712 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.27440 185.3
[M+Na]+ 305.25634 185.4
[M-H]- 281.25984 181.3
[M+NH4]+ 300.30094 199.6
[M+K]+ 321.23028 185.0
[M+H-H2O]+ 265.26438 175.0
[M+HCOO]- 327.26532 196.2
[M+CH3COO]- 341.28097 213.8
[M+Na-2H]- 303.24179 190.7
[M]+ 282.26657 196.1
[M]- 282.26767 196.1
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.