CID 3024956

Crl 40875

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

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

InChI

InChI=1S/C14H21NO/c1-11(2)15-8-9-16-14(10-15)13-6-4-12(3)5-7-13/h4-7,11,14H,8-10H2,1-3H3

InChIKey

LYFCDGUMFHTYBW-UHFFFAOYSA-N

Compound name

2-(4-methylphenyl)-4-propan-2-ylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 219.16231 Da
Monoisotopic Mass: 2.7
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]+	220.16959	152.4
[M+Na]+	242.15153	165.7
[M+NH4]+	237.19613	161.3
[M+K]+	258.12547	158.8
[M-H]-	218.15503	157.9
[M+Na-2H]-	240.13698	159.2
[M]+	219.16176	155.9
[M]-	219.16286	155.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe