CID 58745

(p-hydroxyphenyl)trimethylammonium iodide dimethyl carbamate (ester)

Structural Information

Molecular Formula
C12H19N2O2
SMILES
CN(C)C(=O)OC1=CC=C(C=C1)[N+](C)(C)C
InChI
InChI=1S/C12H19N2O2/c1-13(2)12(15)16-11-8-6-10(7-9-11)14(3,4)5/h6-9H,1-5H3/q+1
InChIKey
HLXOKBLSHGVHLB-UHFFFAOYSA-N
Compound name
[4-(dimethylcarbamoyloxy)phenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.14465 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.15193 147.9
[M+Na]+ 246.13387 154.2
[M-H]- 222.13737 154.8
[M+NH4]+ 241.17847 167.2
[M+K]+ 262.10781 149.5
[M+H-H2O]+ 206.14191 144.2
[M+HCOO]- 268.14285 173.2
[M+CH3COO]- 282.15850 193.3
[M+Na-2H]- 244.11932 156.2
[M]+ 223.14410 150.0
[M]- 223.14520 150.0
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.