CID 3076641

2-naphthalenemethanol, alpha-((2-morpholinylmethoxy)methyl)-, (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

9
Patents

287.15213 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.159406 166.5
[M+Na]+ 310.141348 169.7
[M-H]- 286.144854 169.1
[M+NH4]+ 305.185953 178.2
[M+K]+ 326.115288 166.3
[M+H-H2O]+ 270.149390 157.7
[M+HCOO]- 332.150331 179.7
[M+CH3COO]- 346.165981 175.2
[M+Na-2H]- 308.126796 171.1
[M]+ 287.15158142 162.5
[M]- 287.15267858 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