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 149.1
[M+Na]+ 243.18317 156.1
[M-H]- 219.18667 153.9
[M+NH4]+ 238.22777 171.3
[M+K]+ 259.15711 142.9
[M+H-H2O]+ 203.19121 148.6
[M+HCOO]- 265.19215 169.7
[M+CH3COO]- 279.20780 183.3
[M+Na-2H]- 241.16862 161.1
[M]+ 220.19340 147.3
[M]- 220.19450 147.3
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.