CID 3076641

Alpha-((2-morpholinylmethoxy)methyl)-2-naphthalenemethanol (e)-2-butenedioate (2:1) (salt)

Structural Information

Molecular Formula
C17H21NO3
SMILES
C1COC(CN1)COCC(C2=CC3=CC=CC=C3C=C2)O
InChI
InChI=1S/C17H21NO3/c19-17(12-20-11-16-10-18-7-8-21-16)15-6-5-13-3-1-2-4-14(13)9-15/h1-6,9,16-19H,7-8,10-12H2
InChIKey
DRLFCFGEWJXZGA-UHFFFAOYSA-N
Compound name
2-(morpholin-2-ylmethoxy)-1-naphthalen-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

287.15213 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.15941 166.5
[M+Na]+ 310.14135 169.7
[M-H]- 286.14485 169.1
[M+NH4]+ 305.18595 178.2
[M+K]+ 326.11529 166.3
[M+H-H2O]+ 270.14939 157.7
[M+HCOO]- 332.15033 179.7
[M+CH3COO]- 346.16598 175.2
[M+Na-2H]- 308.12680 171.1
[M]+ 287.15158 162.5
[M]- 287.15268 162.5
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