CID 116729

71042-76-7

Structural Information

Molecular Formula
C18H24NO
SMILES
C1CCC(=[N+]2CCCC2)C(C1)CC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H24NO/c20-18(15-8-2-1-3-9-15)14-16-10-4-5-11-17(16)19-12-6-7-13-19/h1-3,8-9,16H,4-7,10-14H2/q+1
InChIKey
MUENABZQIOGRTA-UHFFFAOYSA-N
Compound name
1-phenyl-2-(2-pyrrolidin-1-ium-1-ylidenecyclohexyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1858 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.19308 170.5
[M+Na]+ 293.17502 172.3
[M-H]- 269.17852 177.1
[M+NH4]+ 288.21962 185.6
[M+K]+ 309.14896 162.2
[M+H-H2O]+ 253.18306 163.9
[M+HCOO]- 315.18400 186.2
[M+CH3COO]- 329.19965 189.1
[M+Na-2H]- 291.16047 170.9
[M]+ 270.18525 160.7
[M]- 270.18635 160.7
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.