CID 3024945

97595-13-6

Structural Information

Molecular Formula
C16H24NO
SMILES
CC(C)[N+]1(CCC(CC1)(C=O)C2=CC=CC=C2)C
InChI
InChI=1S/C16H24NO/c1-14(2)17(3)11-9-16(13-18,10-12-17)15-7-5-4-6-8-15/h4-8,13-14H,9-12H2,1-3H3/q+1
InChIKey
OHJQUHDRYYZQCV-UHFFFAOYSA-N
Compound name
1-methyl-4-phenyl-1-propan-2-ylpiperidin-1-ium-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.18579 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.19307 158.4
[M+Na]+ 269.17501 163.7
[M-H]- 245.17851 163.3
[M+NH4]+ 264.21961 177.9
[M+K]+ 285.14895 155.4
[M+H-H2O]+ 229.18305 154.0
[M+HCOO]- 291.18399 175.5
[M+CH3COO]- 305.19964 187.4
[M+Na-2H]- 267.16046 164.8
[M]+ 246.18524 153.9
[M]- 246.18634 153.9
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.