CID 27310

Su-3304

Structural Information

Molecular Formula
C14H24N2
SMILES
C[N+]1(CC2=CC=CC=C2C1)CC[N+](C)(C)C
InChI
InChI=1S/C14H24N2/c1-15(2,3)9-10-16(4)11-13-7-5-6-8-14(13)12-16/h5-8H,9-12H2,1-4H3/q+2
InChIKey
AXPHNWPXUPSNHB-UHFFFAOYSA-N
Compound name
trimethyl-[2-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.19395 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.20123 148.1
[M+Na]+ 243.18317 163.7
[M+NH4]+ 238.22777 161.5
[M+K]+ 259.15711 157.2
[M-H]- 219.18667 154.6
[M+Na-2H]- 241.16862 157.9
[M]+ 220.19340 153.3
[M]- 220.19450 153.3
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.