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]+ 268.227096 169.5
[M+Na]+ 290.209038 167.8
[M-H]- 266.212544 162.2
[M+NH4]+ 285.253643 191.5
[M+K]+ 306.182978 165.8
[M+H-H2O]+ 250.217080 163.9
[M+HCOO]- 312.218021 172.0
[M+CH3COO]- 326.233671 175.2
[M+Na-2H]- 288.194486 175.5
[M]+ 267.21927142 168.6
[M]- 267.22036858 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.