CID 46583

Tl-1457

Structural Information

Molecular Formula
C13H21N2O2
SMILES
CC[N+](C)(C)C1=CC=C(C=C1)OC(=O)N(C)C
InChI
InChI=1S/C13H21N2O2/c1-6-15(4,5)11-7-9-12(10-8-11)17-13(16)14(2)3/h7-10H,6H2,1-5H3/q+1
InChIKey
OOQMXOZSPYBMSR-UHFFFAOYSA-N
Compound name
[4-(dimethylcarbamoyloxy)phenyl]-ethyl-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.16031 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.167586 152.8
[M+Na]+ 260.149528 158.7
[M-H]- 236.153034 159.4
[M+NH4]+ 255.194133 171.5
[M+K]+ 276.123468 153.7
[M+H-H2O]+ 220.157570 148.9
[M+HCOO]- 282.158511 177.7
[M+CH3COO]- 296.174161 196.4
[M+Na-2H]- 258.134976 160.5
[M]+ 237.15976142 155.3
[M]- 237.16085858 155.3
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.