CID 48659

66967-82-6

Structural Information

Molecular Formula
C13H21N2O3
SMILES
CN(C)C(=O)OC1=C(C=CC=C1OC)[N+](C)(C)C
InChI
InChI=1S/C13H21N2O3/c1-14(2)13(16)18-12-10(15(3,4)5)8-7-9-11(12)17-6/h7-9H,1-6H3/q+1
InChIKey
PNRDKBRSQHADBI-UHFFFAOYSA-N
Compound name
[2-(dimethylcarbamoyloxy)-3-methoxyphenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.15521 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16249 155.1
[M+Na]+ 276.14443 161.9
[M-H]- 252.14793 162.2
[M+NH4]+ 271.18903 173.5
[M+K]+ 292.11837 157.5
[M+H-H2O]+ 236.15247 151.3
[M+HCOO]- 298.15341 180.3
[M+CH3COO]- 312.16906 199.5
[M+Na-2H]- 274.12988 162.5
[M]+ 253.15466 159.4
[M]- 253.15576 159.4
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.