CID 46578

Tl-1431

Structural Information

Molecular Formula
C13H21N2O2
SMILES
CC[N+](C)(CC)C1=CC=C(C=C1)OC(=O)NC
InChI
InChI=1S/C13H20N2O2/c1-5-15(4,6-2)11-7-9-12(10-8-11)17-13(16)14-3/h7-10H,5-6H2,1-4H3/p+1
InChIKey
SNBPTTFFNKLNMF-UHFFFAOYSA-O
Compound name
diethyl-methyl-[4-(methylcarbamoyloxy)phenyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.16031 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.16759 153.5
[M+Na]+ 260.14953 165.8
[M+NH4]+ 255.19413 162.1
[M+K]+ 276.12347 160.8
[M-H]- 236.15303 157.7
[M+Na-2H]- 258.13498 160.8
[M]+ 237.15976 156.7
[M]- 237.16086 156.7
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

No patent data available for this compound.