CID 3019003

81653-20-5

Structural Information

Molecular Formula
C15H17NO3
SMILES
C1COCCN1CC2=C(C=CC3=C2C=C(C=C3)O)O
InChI
InChI=1S/C15H17NO3/c17-12-3-1-11-2-4-15(18)14(13(11)9-12)10-16-5-7-19-8-6-16/h1-4,9,17-18H,5-8,10H2
InChIKey
OXSKDKWXVKZOAT-UHFFFAOYSA-N
Compound name
1-(morpholin-4-ylmethyl)naphthalene-2,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.12085 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.128126 158.4
[M+Na]+ 282.110068 164.8
[M-H]- 258.113574 162.2
[M+NH4]+ 277.154673 172.0
[M+K]+ 298.084008 161.4
[M+H-H2O]+ 242.118110 150.3
[M+HCOO]- 304.119051 173.2
[M+CH3COO]- 318.134701 168.9
[M+Na-2H]- 280.095516 163.8
[M]+ 259.12030142 155.2
[M]- 259.12139858 155.2
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.