CID 3024964

Crl 40910

Structural Information

Molecular Formula

C₁₅H₂₃NO

SMILES

CC1=CC=CC=C1C2CN(CCO2)C(C)(C)C

InChI

InChI=1S/C15H23NO/c1-12-7-5-6-8-13(12)14-11-16(9-10-17-14)15(2,3)4/h5-8,14H,9-11H2,1-4H3

InChIKey

UTJSCGSQEKWQCU-UHFFFAOYSA-N

Compound name

4-tert-butyl-2-(2-methylphenyl)morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 233.17796 Da
Monoisotopic Mass: 2.8
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]+	234.18524	156.7
[M+Na]+	256.16718	170.0
[M+NH4]+	251.21178	165.4
[M+K]+	272.14112	163.2
[M-H]-	232.17068	161.8
[M+Na-2H]-	254.15263	163.7
[M]+	233.17741	160.2
[M]-	233.17851	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe