CID 16076336

2-[2-[[(1r,2r,3r,5s)-2,6,6-trimethylnorpinan-3-yl]amino]ethylamino]propan-1-ol

Structural Information

Molecular Formula
C15H30N2O
SMILES
C[C@@H]1[C@H]2C[C@H](C2(C)C)C[C@H]1NCCNC(C)CO
InChI
InChI=1S/C15H30N2O/c1-10(9-18)16-5-6-17-14-8-12-7-13(11(14)2)15(12,3)4/h10-14,16-18H,5-9H2,1-4H3/t10?,11-,12+,13-,14-/m1/s1
InChIKey
VETMJUJYFJEINJ-ZLMOABSSSA-N
Compound name
2-[2-[[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]amino]ethylamino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.23581 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.24309 180.5
[M+Na]+ 277.22503 181.9
[M-H]- 253.22853 177.2
[M+NH4]+ 272.26963 196.0
[M+K]+ 293.19897 182.5
[M+H-H2O]+ 237.23307 170.9
[M+HCOO]- 299.23401 190.9
[M+CH3COO]- 313.24966 210.1
[M+Na-2H]- 275.21048 184.8
[M]+ 254.23526 190.2
[M]- 254.23636 190.2
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.