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]+ 221.201226 149.1
[M+Na]+ 243.183168 156.1
[M-H]- 219.186674 153.9
[M+NH4]+ 238.227773 171.3
[M+K]+ 259.157108 142.9
[M+H-H2O]+ 203.191210 148.6
[M+HCOO]- 265.192151 169.7
[M+CH3COO]- 279.207801 183.3
[M+Na-2H]- 241.168616 161.1
[M]+ 220.19340142 147.3
[M]- 220.19449858 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.