CID 3062536

98347-93-4

Structural Information

Molecular Formula
C17H26NO
SMILES
CCCC[N+]1(CCC(CC1)(C=O)C2=CC=CC=C2)C
InChI
InChI=1S/C17H26NO/c1-3-4-12-18(2)13-10-17(15-19,11-14-18)16-8-6-5-7-9-16/h5-9,15H,3-4,10-14H2,1-2H3/q+1
InChIKey
ZLDHRJJXTOATLC-UHFFFAOYSA-N
Compound name
1-butyl-1-methyl-4-phenylpiperidin-1-ium-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.20145 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.208726 163.3
[M+Na]+ 283.190668 168.5
[M-H]- 259.194174 167.9
[M+NH4]+ 278.235273 182.3
[M+K]+ 299.164608 159.4
[M+H-H2O]+ 243.198710 158.4
[M+HCOO]- 305.199651 181.1
[M+CH3COO]- 319.215301 189.6
[M+Na-2H]- 281.176116 170.3
[M]+ 260.20090142 159.8
[M]- 260.20199858 159.8
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.