CID 166943

Methacrylic acid, nitrilotriethylene ester

Structural Information

Molecular Formula
C18H27NO6
SMILES
CC(=C)C(=O)OCCN(CCOC(=O)C(=C)C)CCOC(=O)C(=C)C
InChI
InChI=1S/C18H27NO6/c1-13(2)16(20)23-10-7-19(8-11-24-17(21)14(3)4)9-12-25-18(22)15(5)6/h1,3,5,7-12H2,2,4,6H3
InChIKey
VREQORRYSHBFFY-UHFFFAOYSA-N
Compound name
2-[bis[2-(2-methylprop-2-enoyloxy)ethyl]amino]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

334
Patents

353.18384 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.19112 184.7
[M+Na]+ 376.17306 186.8
[M-H]- 352.17656 198.3
[M+NH4]+ 371.21766 207.7
[M+K]+ 392.14700 187.5
[M+H-H2O]+ 336.18110 178.0
[M+HCOO]- 398.18204 197.3
[M+CH3COO]- 412.19769 221.4
[M+Na-2H]- 374.15851 178.6
[M]+ 353.18329 194.1
[M]- 353.18439 194.1
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