CID 3050731

Ro 2-0663

Structural Information

Molecular Formula
C13H21N2O3
SMILES
CN(C)C(=O)OC1=CC=CC=C1OC[N+](C)(C)C
InChI
InChI=1S/C13H21N2O3/c1-14(2)13(16)18-12-9-7-6-8-11(12)17-10-15(3,4)5/h6-9H,10H2,1-5H3/q+1
InChIKey
RBDSQHUFRQHFRM-UHFFFAOYSA-N
Compound name
[2-(dimethylcarbamoyloxy)phenoxy]methyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.15521 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16249 156.1
[M+Na]+ 276.14443 161.9
[M-H]- 252.14793 162.7
[M+NH4]+ 271.18903 174.1
[M+K]+ 292.11837 157.4
[M+H-H2O]+ 236.15247 152.0
[M+HCOO]- 298.15341 181.3
[M+CH3COO]- 312.16906 198.4
[M+Na-2H]- 274.12988 164.0
[M]+ 253.15466 160.0
[M]- 253.15576 160.0
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.