CID 3025140

102207-35-2

Structural Information

Molecular Formula
C15H25N2
SMILES
CN(CC[N+]1(CCCCC1)C)C2=CC=CC=C2
InChI
InChI=1S/C15H25N2/c1-16(15-9-5-3-6-10-15)11-14-17(2)12-7-4-8-13-17/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3/q+1
InChIKey
OQVUVVRIWAAMKW-UHFFFAOYSA-N
Compound name
N-methyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.20177 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.20905 156.1
[M+Na]+ 256.19099 159.1
[M-H]- 232.19449 161.5
[M+NH4]+ 251.23559 174.2
[M+K]+ 272.16493 151.5
[M+H-H2O]+ 216.19903 150.4
[M+HCOO]- 278.19997 175.6
[M+CH3COO]- 292.21562 190.1
[M+Na-2H]- 254.17644 163.4
[M]+ 233.20122 150.8
[M]- 233.20232 150.8
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.