CID 121863

133736-31-9

Structural Information

Molecular Formula
C16H21NO5
SMILES
CC1=CC=C(C=C1)N(CC(COC(=O)C(=C)C)O)CC(=O)O
InChI
InChI=1S/C16H21NO5/c1-11(2)16(21)22-10-14(18)8-17(9-15(19)20)13-6-4-12(3)5-7-13/h4-7,14,18H,1,8-10H2,2-3H3,(H,19,20)
InChIKey
WAEYWEAANZCBNC-UHFFFAOYSA-N
Compound name
2-(N-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propyl]-4-methylanilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

25
References

45
Patents

307.14197 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14925 171.6
[M+Na]+ 330.13119 178.6
[M+NH4]+ 325.17579 175.4
[M+K]+ 346.10513 176.4
[M-H]- 306.13469 170.0
[M+Na-2H]- 328.11664 173.0
[M]+ 307.14142 171.5
[M]- 307.14252 171.5
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