CID 212314

24070-48-2

Structural Information

Molecular Formula
C13H20NO
SMILES
C[N+](C)(C)CCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C13H20NO/c1-14(2,3)11-7-10-13(15)12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3/q+1
InChIKey
QHTQTYMZPLSYDL-UHFFFAOYSA-N
Compound name
trimethyl-(4-oxo-4-phenylbutyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1545 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.16178 146.7
[M+Na]+ 229.14372 152.4
[M-H]- 205.14722 151.6
[M+NH4]+ 224.18832 166.1
[M+K]+ 245.11766 145.5
[M+H-H2O]+ 189.15176 143.5
[M+HCOO]- 251.15270 170.0
[M+CH3COO]- 265.16835 186.5
[M+Na-2H]- 227.12917 155.4
[M]+ 206.15395 147.2
[M]- 206.15505 147.2
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.