CID 3024960

Crl 40897

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CC1=CC=C(C=C1)C2CN(CCO2)C

InChI

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

InChIKey

QSOOPCZZHJECSU-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 191.13101 Da
Monoisotopic Mass: 1.9
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	143.0
[M+Na]+	214.12023	149.4
[M-H]-	190.12373	148.5
[M+NH4]+	209.16483	160.0
[M+K]+	230.09417	148.1
[M+H-H2O]+	174.12827	135.4
[M+HCOO]-	236.12921	161.8
[M+CH3COO]-	250.14486	183.9
[M+Na-2H]-	212.10568	148.6
[M]+	191.13046	140.4
[M]-	191.13156	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe