CID 6602172

55380-59-1

Structural Information

Molecular Formula
C12H18NO
SMILES
C[C@H](C(=O)C1=CC=CC=C1)[N+](C)(C)C
InChI
InChI=1S/C12H18NO/c1-10(13(2,3)4)12(14)11-8-6-5-7-9-11/h5-10H,1-4H3/q+1/t10-/m1/s1
InChIKey
CSOKYJHZBDJCHS-SNVBAGLBSA-N
Compound name
trimethyl-[(2R)-1-oxo-1-phenylpropan-2-yl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

192.13884 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.14612 141.3
[M+Na]+ 215.12806 147.1
[M-H]- 191.13156 146.4
[M+NH4]+ 210.17266 161.1
[M+K]+ 231.10200 141.0
[M+H-H2O]+ 175.13610 138.3
[M+HCOO]- 237.13704 163.9
[M+CH3COO]- 251.15269 184.2
[M+Na-2H]- 213.11351 149.3
[M]+ 192.13829 140.7
[M]- 192.13939 140.7
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.