CID 52145

73680-80-5

Structural Information

Molecular Formula
C13H21N2O
SMILES
CC[N+](C)(CC)CC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C13H20N2O/c1-4-15(3,5-2)11-13(16)14-12-9-7-6-8-10-12/h6-10H,4-5,11H2,1-3H3/p+1
InChIKey
DKWAHBWUACSYNN-UHFFFAOYSA-O
Compound name
(2-anilino-2-oxoethyl)-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.16539 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.172666 150.3
[M+Na]+ 244.154608 155.1
[M-H]- 220.158114 155.1
[M+NH4]+ 239.199213 168.7
[M+K]+ 260.128548 148.1
[M+H-H2O]+ 204.162650 146.5
[M+HCOO]- 266.163591 174.5
[M+CH3COO]- 280.179241 190.5
[M+Na-2H]- 242.140056 159.3
[M]+ 221.16484142 149.9
[M]- 221.16593858 149.9
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.