CID 171712

Trimethyl(vinylbenzyl)ammonium chloride

Structural Information

Molecular Formula
C12H18N
SMILES
C[N+](C)(C)CC1=CC=CC=C1C=C
InChI
InChI=1S/C12H18N/c1-5-11-8-6-7-9-12(11)10-13(2,3)4/h5-9H,1,10H2,2-4H3/q+1
InChIKey
SVBDYAHXVSJABF-UHFFFAOYSA-N
Compound name
(2-ethenylphenyl)methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

444
Patents

176.14392 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.15120 138.6
[M+Na]+ 199.13314 153.8
[M+NH4]+ 194.17774 149.2
[M+K]+ 215.10708 146.6
[M-H]- 175.13664 143.9
[M+Na-2H]- 197.11859 147.9
[M]+ 176.14337 142.8
[M]- 176.14447 142.8
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

patents stripe