CID 2326348

(9-anthracenylmethyl)trimethylammonium chloride

Structural Information

Molecular Formula
C18H20N
SMILES
C[N+](C)(C)CC1=C2C=CC=CC2=CC3=CC=CC=C31
InChI
InChI=1S/C18H20N/c1-19(2,3)13-18-16-10-6-4-8-14(16)12-15-9-5-7-11-17(15)18/h4-12H,13H2,1-3H3/q+1
InChIKey
KUTAKSMRMVXKGO-UHFFFAOYSA-N
Compound name
anthracen-9-ylmethyl(trimethyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

250.15958 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16686 157.4
[M+Na]+ 273.14880 166.2
[M-H]- 249.15230 164.6
[M+NH4]+ 268.19340 177.4
[M+K]+ 289.12274 156.0
[M+H-H2O]+ 233.15684 152.9
[M+HCOO]- 295.15778 180.3
[M+CH3COO]- 309.17343 196.9
[M+Na-2H]- 271.13425 170.1
[M]+ 250.15903 159.1
[M]- 250.16013 159.1
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

patents stripe