CID 3024962

Crl 40903

Structural Information

Molecular Formula

C₁₅H₂₃NO

SMILES

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

InChI

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

InChIKey

ZHOYSWXYPAXNHR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
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	156.5
[M+Na]+	256.16718	162.2
[M-H]-	232.17068	161.9
[M+NH4]+	251.21178	172.0
[M+K]+	272.14112	160.6
[M+H-H2O]+	216.17522	149.0
[M+HCOO]-	278.17616	172.7
[M+CH3COO]-	292.19181	192.7
[M+Na-2H]-	254.15263	161.2
[M]+	233.17741	154.5
[M]-	233.17851	154.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe