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]+ 236.128126 152.3
[M+Na]+ 258.110068 159.2
[M-H]- 234.113574 157.5
[M+NH4]+ 253.154673 170.7
[M+K]+ 274.084008 159.1
[M+H-H2O]+ 218.118110 145.7
[M+HCOO]- 280.119051 176.2
[M+CH3COO]- 294.134701 199.5
[M+Na-2H]- 256.095516 154.2
[M]+ 235.12030142 156.6
[M]- 235.12139858 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.