CID 145917

Ethyl 2-carbamoyloxybenzoate

Structural Information

Molecular Formula
C10H11NO4
SMILES
CCOC(=O)C1=CC=CC=C1OC(=O)N
InChI
InChI=1S/C10H11NO4/c1-2-14-9(12)7-5-3-4-6-8(7)15-10(11)13/h3-6H,2H2,1H3,(H2,11,13)
InChIKey
JFMIIMPCFQKAAD-UHFFFAOYSA-N
Compound name
ethyl 2-carbamoyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

209.0688 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 143.4
[M+Na]+ 232.05802 150.5
[M-H]- 208.06152 146.8
[M+NH4]+ 227.10262 161.6
[M+K]+ 248.03196 149.9
[M+H-H2O]+ 192.06606 137.0
[M+HCOO]- 254.06700 167.4
[M+CH3COO]- 268.08265 186.6
[M+Na-2H]- 230.04347 147.2
[M]+ 209.06825 145.3
[M]- 209.06935 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe