CID 24208807

902836-81-1

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CC1=CC=C(C=C1)C2(CNCCO2)C

InChI

InChI=1S/C12H17NO/c1-10-3-5-11(6-4-10)12(2)9-13-7-8-14-12/h3-6,13H,7-9H2,1-2H3

InChIKey

NQYMBSUCKZVKFF-UHFFFAOYSA-N

Compound name

2-methyl-2-(4-methylphenyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 191.13101 Da
Monoisotopic Mass: 1.5
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]+	192.13829	143.5
[M+Na]+	214.12023	149.5
[M-H]-	190.12373	147.7
[M+NH4]+	209.16483	161.5
[M+K]+	230.09417	147.6
[M+H-H2O]+	174.12827	136.5
[M+HCOO]-	236.12921	160.8
[M+CH3COO]-	250.14486	155.4
[M+Na-2H]-	212.10568	150.3
[M]+	191.13046	139.0
[M]-	191.13156	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe