CID 46576

Tl-1481

Structural Information

Molecular Formula
C14H23N2O2
SMILES
CCNC(=O)OC1=CC=CC(=C1)[N+](C)(CC)CC
InChI
InChI=1S/C14H22N2O2/c1-5-15-14(17)18-13-10-8-9-12(11-13)16(4,6-2)7-3/h8-11H,5-7H2,1-4H3/p+1
InChIKey
ZOIRWIMRWWZNGC-UHFFFAOYSA-O
Compound name
diethyl-[3-(ethylcarbamoyloxy)phenyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.17595 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.18323 158.2
[M+Na]+ 274.16517 163.4
[M-H]- 250.16867 163.1
[M+NH4]+ 269.20977 175.7
[M+K]+ 290.13911 156.7
[M+H-H2O]+ 234.17321 154.2
[M+HCOO]- 296.17415 182.2
[M+CH3COO]- 310.18980 195.9
[M+Na-2H]- 272.15062 166.1
[M]+ 251.17540 159.8
[M]- 251.17650 159.8
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.