CID 64192

Bis(2-hydroxypropyl)aminoadamantane hydrochloride

Structural Information

Molecular Formula
C16H29NO2
SMILES
CC(CN(CC(C)O)C12CC3CC(C1)CC(C3)C2)O
InChI
InChI=1S/C16H29NO2/c1-11(18)9-17(10-12(2)19)16-6-13-3-14(7-16)5-15(4-13)8-16/h11-15,18-19H,3-10H2,1-2H3
InChIKey
ZEUJIJRJNIPTAN-UHFFFAOYSA-N
Compound name
1-[1-adamantyl(2-hydroxypropyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.21982 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.22710 164.2
[M+Na]+ 290.20904 169.8
[M+NH4]+ 285.25364 175.5
[M+K]+ 306.18298 162.3
[M-H]- 266.21254 161.3
[M+Na-2H]- 288.19449 159.2
[M]+ 267.21927 164.0
[M]- 267.22037 164.0
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.