CID 6450552

N-(2-amino-2-oxoethyl)-n,n-dimethyl-3-phenyl-2-propen-1-aminium

Structural Information

Molecular Formula
C13H19N2O
SMILES
C[N+](C)(C/C=C/C1=CC=CC=C1)CC(=O)N
InChI
InChI=1S/C13H18N2O/c1-15(2,11-13(14)16)10-6-9-12-7-4-3-5-8-12/h3-9H,10-11H2,1-2H3,(H-,14,16)/p+1/b9-6+
InChIKey
RSZAJLBAXQLVOP-RMKNXTFCSA-O
Compound name
(2-amino-2-oxoethyl)-dimethyl-[(E)-3-phenylprop-2-enyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.14973 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.15701 149.5
[M+Na]+ 242.13895 154.6
[M-H]- 218.14245 153.7
[M+NH4]+ 237.18355 167.6
[M+K]+ 258.11289 146.6
[M+H-H2O]+ 202.14699 145.8
[M+HCOO]- 264.14793 173.3
[M+CH3COO]- 278.16358 188.7
[M+Na-2H]- 240.12440 157.5
[M]+ 219.14918 147.3
[M]- 219.15028 147.3
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.