CID 46269

Tl 1157

Structural Information

Molecular Formula
C13H18N2O5
SMILES
CN(C)C(=O)OC1=C(C=C(C=C1)CO)OC(=O)N(C)C
InChI
InChI=1S/C13H18N2O5/c1-14(2)12(17)19-10-6-5-9(8-16)7-11(10)20-13(18)15(3)4/h5-7,16H,8H2,1-4H3
InChIKey
UOUMIWURLSNKSG-UHFFFAOYSA-N
Compound name
[2-(dimethylcarbamoyloxy)-4-(hydroxymethyl)phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.12158 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.12886 163.2
[M+Na]+ 305.11080 168.8
[M-H]- 281.11430 168.4
[M+NH4]+ 300.15540 179.2
[M+K]+ 321.08474 170.7
[M+H-H2O]+ 265.11884 155.7
[M+HCOO]- 327.11978 187.5
[M+CH3COO]- 341.13543 207.9
[M+Na-2H]- 303.09625 164.2
[M]+ 282.12103 168.6
[M]- 282.12213 168.6
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.