CID 2306460

2-(methacryloyloxy)ethyl 3,5-diaminobenzoate

Structural Information

Molecular Formula
C13H16N2O4
SMILES
CC(=C)C(=O)OCCOC(=O)C1=CC(=CC(=C1)N)N
InChI
InChI=1S/C13H16N2O4/c1-8(2)12(16)18-3-4-19-13(17)9-5-10(14)7-11(15)6-9/h5-7H,1,3-4,14-15H2,2H3
InChIKey
BZRAULNYWZRKMB-UHFFFAOYSA-N
Compound name
2-(2-methylprop-2-enoyloxy)ethyl 3,5-diaminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

226
Patents

264.111 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.118276 160.5
[M+Na]+ 287.100218 166.2
[M-H]- 263.103724 163.1
[M+NH4]+ 282.144823 175.8
[M+K]+ 303.074158 164.6
[M+H-H2O]+ 247.108260 153.3
[M+HCOO]- 309.109201 182.9
[M+CH3COO]- 323.124851 201.8
[M+Na-2H]- 285.085666 159.9
[M]+ 264.11045142 160.6
[M]- 264.11154858 160.6
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

patents stripe