CID 152676

5724-15-2

Structural Information

Molecular Formula
C12H18NO
SMILES
C[N+](C)(C)CCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C12H18NO/c1-13(2,3)10-9-12(14)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1
InChIKey
NCTDMVAFTYBEOP-UHFFFAOYSA-N
Compound name
trimethyl-(3-oxo-3-phenylpropyl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

35
Patents

192.13884 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14612 142.1
[M+Na]+ 215.12806 156.0
[M+NH4]+ 210.17266 152.0
[M+K]+ 231.10200 150.1
[M-H]- 191.13156 146.6
[M+Na-2H]- 213.11351 150.7
[M]+ 192.13829 145.8
[M]- 192.13939 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe