CID 46589

Tl-1434

Structural Information

Molecular Formula
C13H21N2O2
SMILES
CCC[N+](C)(C)C1=CC(=CC=C1)OC(=O)NC
InChI
InChI=1S/C13H20N2O2/c1-5-9-15(3,4)11-7-6-8-12(10-11)17-13(16)14-2/h6-8,10H,5,9H2,1-4H3/p+1
InChIKey
SLWGVCPLBDZAOS-UHFFFAOYSA-O
Compound name
dimethyl-[3-(methylcarbamoyloxy)phenyl]-propylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.16031 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.167586 153.4
[M+Na]+ 260.149528 159.1
[M-H]- 236.153034 158.5
[M+NH4]+ 255.194133 171.5
[M+K]+ 276.123468 152.7
[M+H-H2O]+ 220.157570 149.6
[M+HCOO]- 282.158511 177.8
[M+CH3COO]- 296.174161 192.9
[M+Na-2H]- 258.134976 161.9
[M]+ 237.15976142 154.6
[M]- 237.16085858 154.6
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.