CID 33839

27438-39-7

Structural Information

Molecular Formula

C₁₅H₁₇NO₂

SMILES

C1COCCN1CC2=C(C=CC3=CC=CC=C32)O

InChI

InChI=1S/C15H17NO2/c17-15-6-5-12-3-1-2-4-13(12)14(15)11-16-7-9-18-10-8-16/h1-6,17H,7-11H2

InChIKey

VNKDDFRRCCZWOU-UHFFFAOYSA-N

Compound name

1-(morpholin-4-ylmethyl)naphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 15
Patents: 243.12593 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.13321	154.7
[M+Na]+	266.11515	160.7
[M-H]-	242.11865	159.4
[M+NH4]+	261.15975	169.4
[M+K]+	282.08909	157.4
[M+H-H2O]+	226.12319	146.2
[M+HCOO]-	288.12413	170.8
[M+CH3COO]-	302.13978	165.6
[M+Na-2H]-	264.10060	161.1
[M]+	243.12538	151.4
[M]-	243.12648	151.4

Literature stripe

literature stripe

Patent stripe

patents stripe