CID 36012

Adamantane, 1-(2-(2-hydroxyethyl)aminopropyl)-, hydrochloride

Structural Information

Molecular Formula
C15H27NO
SMILES
CC(CC12CC3CC(C1)CC(C3)C2)NCCO
InChI
InChI=1S/C15H27NO/c1-11(16-2-3-17)7-15-8-12-4-13(9-15)6-14(5-12)10-15/h11-14,16-17H,2-10H2,1H3
InChIKey
FDKVBZUAEYGYQW-UHFFFAOYSA-N
Compound name
2-[1-(1-adamantyl)propan-2-ylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.20926 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.21654 160.2
[M+Na]+ 260.19848 159.8
[M-H]- 236.20198 153.3
[M+NH4]+ 255.24308 183.6
[M+K]+ 276.17242 156.2
[M+H-H2O]+ 220.20652 154.2
[M+HCOO]- 282.20746 165.1
[M+CH3COO]- 296.22311 166.9
[M+Na-2H]- 258.18393 168.8
[M]+ 237.20871 158.8
[M]- 237.20981 158.8
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.