CID 3021300

Brn 5966197

Structural Information

Molecular Formula
C15H13NO4
SMILES
CC1=CC=CC=C1OC(=O)C2=CC=CC=C2OC(=O)N
InChI
InChI=1S/C15H13NO4/c1-10-6-2-4-8-12(10)19-14(17)11-7-3-5-9-13(11)20-15(16)18/h2-9H,1H3,(H2,16,18)
InChIKey
CJKXQRMRKTTXIP-UHFFFAOYSA-N
Compound name
(2-methylphenyl) 2-carbamoyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.08447 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09175 160.0
[M+Na]+ 294.07369 167.0
[M-H]- 270.07719 166.6
[M+NH4]+ 289.11829 175.4
[M+K]+ 310.04763 164.8
[M+H-H2O]+ 254.08173 152.1
[M+HCOO]- 316.08267 183.7
[M+CH3COO]- 330.09832 198.8
[M+Na-2H]- 292.05914 163.1
[M]+ 271.08392 161.4
[M]- 271.08502 161.4
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.