CID 64250

4-morpholineethanol, alpha-(3-adamantylmethoxymethyl)-, hydrochloride

Structural Information

Molecular Formula
C18H31NO3
SMILES
C1COCCN1CC(COCC23CC4CC(C2)CC(C4)C3)O
InChI
InChI=1S/C18H31NO3/c20-17(11-19-1-3-21-4-2-19)12-22-13-18-8-14-5-15(9-18)7-16(6-14)10-18/h14-17,20H,1-13H2
InChIKey
MWKPSZICRULCTP-UHFFFAOYSA-N
Compound name
1-(1-adamantylmethoxy)-3-morpholin-4-ylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

309.2304 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.23768 170.9
[M+Na]+ 332.21962 168.0
[M-H]- 308.22312 165.1
[M+NH4]+ 327.26422 188.2
[M+K]+ 348.19356 166.0
[M+H-H2O]+ 292.22766 161.5
[M+HCOO]- 354.22860 169.2
[M+CH3COO]- 368.24425 175.4
[M+Na-2H]- 330.20507 177.8
[M]+ 309.22985 168.3
[M]- 309.23095 168.3
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

patents stripe