CID 86040650

849354-84-3

Structural Information

Molecular Formula
C13H17NO3
SMILES
CC1=C(C(=CC=C1)C)N(C=O)C(C)C(=O)OC
InChI
InChI=1S/C13H17NO3/c1-9-6-5-7-10(2)12(9)14(8-15)11(3)13(16)17-4/h5-8,11H,1-4H3
InChIKey
OEZMABDASOQWPD-UHFFFAOYSA-N
Compound name
methyl 2-(N-formyl-2,6-dimethylanilino)propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 152.3
[M+Na]+ 258.11007 159.2
[M-H]- 234.11357 157.5
[M+NH4]+ 253.15467 170.7
[M+K]+ 274.08401 159.1
[M+H-H2O]+ 218.11811 145.7
[M+HCOO]- 280.11905 176.2
[M+CH3COO]- 294.13470 199.5
[M+Na-2H]- 256.09552 154.2
[M]+ 235.12030 156.5
[M]- 235.12140 156.6
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

No patent data available for this compound.