CID 24689344

1172511-18-0

Structural Information

Molecular Formula

C₁₄H₁₉NO

SMILES

CC1=CC(=C(C=C1)C(=O)C2CCNCC2)C

InChI

InChI=1S/C14H19NO/c1-10-3-4-13(11(2)9-10)14(16)12-5-7-15-8-6-12/h3-4,9,12,15H,5-8H2,1-2H3

InChIKey

XDNVDWRCYCCMSM-UHFFFAOYSA-N

Compound name

(2,4-dimethylphenyl)-piperidin-4-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 217.14667 Da
Monoisotopic Mass: 2.4
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]+	218.15395	151.2
[M+Na]+	240.13589	156.2
[M-H]-	216.13939	154.4
[M+NH4]+	235.18049	167.5
[M+K]+	256.10983	152.3
[M+H-H2O]+	200.14393	143.7
[M+HCOO]-	262.14487	167.9
[M+CH3COO]-	276.16052	187.4
[M+Na-2H]-	238.12134	153.2
[M]+	217.14612	145.5
[M]-	217.14722	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe