CID 9570411

Acetophenone, 4'-methyl-2-(piperidinoimino)-

Structural Information

Molecular Formula
C14H18N2O
SMILES
CC1=CC=C(C=C1)C(=O)/C=N/N2CCCCC2
InChI
InChI=1S/C14H18N2O/c1-12-5-7-13(8-6-12)14(17)11-15-16-9-3-2-4-10-16/h5-8,11H,2-4,9-10H2,1H3/b15-11+
InChIKey
BUCGSOZNEVWNJA-RVDMUPIBSA-N
Compound name
(2E)-1-(4-methylphenyl)-2-piperidin-1-yliminoethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.149176 153.5
[M+Na]+ 253.131118 157.8
[M-H]- 229.134624 159.0
[M+NH4]+ 248.175723 169.9
[M+K]+ 269.105058 155.0
[M+H-H2O]+ 213.139160 144.7
[M+HCOO]- 275.140101 174.4
[M+CH3COO]- 289.155751 194.8
[M+Na-2H]- 251.116566 157.5
[M]+ 230.14135142 149.6
[M]- 230.14244858 149.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.