CID 22622

Tl-1238

Structural Information

Molecular Formula
C14H23N2O2
SMILES
CC[N+](C)(CC)C1=CC(=CC=C1)OC(=O)N(C)C
InChI
InChI=1S/C14H23N2O2/c1-6-16(5,7-2)12-9-8-10-13(11-12)18-14(17)15(3)4/h8-11H,6-7H2,1-5H3/q+1
InChIKey
OLPNKIILPIDARH-UHFFFAOYSA-N
Compound name
[3-(dimethylcarbamoyloxy)phenyl]-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.17595 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.183226 157.6
[M+Na]+ 274.165168 163.1
[M-H]- 250.168674 164.1
[M+NH4]+ 269.209773 175.8
[M+K]+ 290.139108 157.8
[M+H-H2O]+ 234.173210 153.5
[M+HCOO]- 296.174151 182.2
[M+CH3COO]- 310.189801 199.4
[M+Na-2H]- 272.150616 164.9
[M]+ 251.17540142 160.5
[M]- 251.17649858 160.5
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.