CID 29526

N-(3-(4-methoxyphenyl)-3-oxopropyl)-n-methylglycine hydrochloride

Structural Information

Molecular Formula
C13H17NO4
SMILES
CN(CCC(=O)C1=CC=C(C=C1)OC)CC(=O)O
InChI
InChI=1S/C13H17NO4/c1-14(9-13(16)17)8-7-12(15)10-3-5-11(18-2)6-4-10/h3-6H,7-9H2,1-2H3,(H,16,17)
InChIKey
JVVOTBWQGYWMOM-UHFFFAOYSA-N
Compound name
2-[[3-(4-methoxyphenyl)-3-oxopropyl]-methylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

251.11575 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 156.5
[M+Na]+ 274.10497 161.8
[M-H]- 250.10847 159.8
[M+NH4]+ 269.14957 173.0
[M+K]+ 290.07891 161.4
[M+H-H2O]+ 234.11301 149.5
[M+HCOO]- 296.11395 179.1
[M+CH3COO]- 310.12960 198.5
[M+Na-2H]- 272.09042 158.5
[M]+ 251.11520 160.0
[M]- 251.11630 160.0
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