CID 43506

60924-63-2

Structural Information

Molecular Formula
C13H22N
SMILES
C[N+](C)(C)CCCCC1=CC=CC=C1
InChI
InChI=1S/C13H22N/c1-14(2,3)12-8-7-11-13-9-5-4-6-10-13/h4-6,9-10H,7-8,11-12H2,1-3H3/q+1
InChIKey
LAPRPYWHRSEAIG-UHFFFAOYSA-N
Compound name
trimethyl(4-phenylbutyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

192.17523 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.18251 144.3
[M+Na]+ 215.16445 158.9
[M+NH4]+ 210.20905 155.1
[M+K]+ 231.13839 151.4
[M-H]- 191.16795 149.8
[M+Na-2H]- 213.14990 153.6
[M]+ 192.17468 148.5
[M]- 192.17578 148.5
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