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 169.5
[M+Na]+ 290.20904 167.8
[M-H]- 266.21254 162.2
[M+NH4]+ 285.25364 191.5
[M+K]+ 306.18298 165.8
[M+H-H2O]+ 250.21708 163.9
[M+HCOO]- 312.21802 172.0
[M+CH3COO]- 326.23367 175.2
[M+Na-2H]- 288.19449 175.5
[M]+ 267.21927 168.6
[M]- 267.22037 168.6
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.