CID 90446

24293-73-0

Structural Information

Molecular Formula
C11H17N2O
SMILES
C[N+](C)(C)CC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C11H16N2O/c1-13(2,3)8-11(14)9-4-6-10(12)7-5-9/h4-7H,8H2,1-3H3,(H-,12,14)/p+1
InChIKey
FUCCPFJAOOGRRI-UHFFFAOYSA-O
Compound name
[2-(4-aminophenyl)-2-oxoethyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

74
Patents

193.1341 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.14138 140.4
[M+Na]+ 216.12332 147.0
[M-H]- 192.12682 145.4
[M+NH4]+ 211.16792 160.0
[M+K]+ 232.09726 140.1
[M+H-H2O]+ 176.13136 137.4
[M+HCOO]- 238.13230 164.7
[M+CH3COO]- 252.14795 185.4
[M+Na-2H]- 214.10877 148.9
[M]+ 193.13355 138.7
[M]- 193.13465 138.7
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

patents stripe