CID 3078950

Agromet

Structural Information

Molecular Formula
C13H19NO3
SMILES
CC1=C(C(=CC=C1)C)N([C@@H](C)C(=O)OC)OC
InChI
InChI=1S/C13H19NO3/c1-9-7-6-8-10(2)12(9)14(17-5)11(3)13(15)16-4/h6-8,11H,1-5H3/t11-/m0/s1
InChIKey
OABBFKUSJCCJFO-NSHDSACASA-N
Compound name
methyl (2S)-2-(N-methoxy-2,6-dimethylanilino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

237.13649 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.14377 154.1
[M+Na]+ 260.12571 164.9
[M+NH4]+ 255.17031 161.2
[M+K]+ 276.09965 160.4
[M-H]- 236.12921 155.9
[M+Na-2H]- 258.11116 159.2
[M]+ 237.13594 156.0
[M]- 237.13704 156.0
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