CID 9570411

Brn 1243080

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]+ 231.14918 153.5
[M+Na]+ 253.13112 157.8
[M-H]- 229.13462 159.0
[M+NH4]+ 248.17572 169.9
[M+K]+ 269.10506 155.0
[M+H-H2O]+ 213.13916 144.7
[M+HCOO]- 275.14010 174.4
[M+CH3COO]- 289.15575 194.8
[M+Na-2H]- 251.11657 157.5
[M]+ 230.14135 149.6
[M]- 230.14245 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.