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]+ 238.16759 152.8
[M+Na]+ 260.14953 158.7
[M-H]- 236.15303 159.4
[M+NH4]+ 255.19413 171.5
[M+K]+ 276.12347 153.7
[M+H-H2O]+ 220.15757 148.9
[M+HCOO]- 282.15851 177.7
[M+CH3COO]- 296.17416 196.4
[M+Na-2H]- 258.13498 160.5
[M]+ 237.15976 155.3
[M]- 237.16086 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.