CID 4193973

N-(4-methoxybenzylidene)glycine methyl ester

Structural Information

Molecular Formula
C11H13NO3
SMILES
COC1=CC=C(C=C1)C=NCC(=O)OC
InChI
InChI=1S/C11H13NO3/c1-14-10-5-3-9(4-6-10)7-12-8-11(13)15-2/h3-7H,8H2,1-2H3
InChIKey
VBEIMDCNFQCLNL-UHFFFAOYSA-N
Compound name
methyl 2-[(4-methoxyphenyl)methylideneamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

207.08954 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.09682 143.8
[M+Na]+ 230.07876 151.2
[M-H]- 206.08226 148.9
[M+NH4]+ 225.12336 163.3
[M+K]+ 246.05270 150.6
[M+H-H2O]+ 190.08680 137.1
[M+HCOO]- 252.08774 170.4
[M+CH3COO]- 266.10339 189.8
[M+Na-2H]- 228.06421 149.9
[M]+ 207.08899 148.1
[M]- 207.09009 148.1
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