CID 26640

Ammonium, trimethyl(alpha-methylphenethyl)-, iodide

Structural Information

Molecular Formula
C12H20N
SMILES
CC(CC1=CC=CC=C1)[N+](C)(C)C
InChI
InChI=1S/C12H20N/c1-11(13(2,3)4)10-12-8-6-5-7-9-12/h5-9,11H,10H2,1-4H3/q+1
InChIKey
CIOAZSKKJMOUJW-UHFFFAOYSA-N
Compound name
trimethyl(1-phenylpropan-2-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

178.15958 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.166856 139.4
[M+Na]+ 201.148798 145.2
[M-H]- 177.152304 144.4
[M+NH4]+ 196.193403 160.0
[M+K]+ 217.122738 138.8
[M+H-H2O]+ 161.156840 136.5
[M+HCOO]- 223.157781 162.5
[M+CH3COO]- 237.173431 182.7
[M+Na-2H]- 199.134246 148.6
[M]+ 178.15903142 138.8
[M]- 178.16012858 138.8
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