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

275
Patents

264.111 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11828 160.5
[M+Na]+ 287.10022 166.2
[M-H]- 263.10372 163.1
[M+NH4]+ 282.14482 175.8
[M+K]+ 303.07416 164.6
[M+H-H2O]+ 247.10826 153.3
[M+HCOO]- 309.10920 182.9
[M+CH3COO]- 323.12485 201.8
[M+Na-2H]- 285.08567 159.9
[M]+ 264.11045 160.6
[M]- 264.11155 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