CID 58034

P-aminobenzoic acid 2-(methoxymethylamino)ethyl ester

Structural Information

Molecular Formula
C11H16N2O3
SMILES
CN(CCOC(=O)C1=CC=C(C=C1)N)OC
InChI
InChI=1S/C11H16N2O3/c1-13(15-2)7-8-16-11(14)9-3-5-10(12)6-4-9/h3-6H,7-8,12H2,1-2H3
InChIKey
KRMCSAZWAFLZCC-UHFFFAOYSA-N
Compound name
2-[methoxy(methyl)amino]ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.11609 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.12337 150.0
[M+Na]+ 247.10531 155.8
[M-H]- 223.10881 154.5
[M+NH4]+ 242.14991 168.0
[M+K]+ 263.07925 155.9
[M+H-H2O]+ 207.11335 142.7
[M+HCOO]- 269.11429 175.7
[M+CH3COO]- 283.12994 196.6
[M+Na-2H]- 245.09076 154.0
[M]+ 224.11554 152.6
[M]- 224.11664 152.6
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.