CID 122420

1,3-dihydroxypropan-2-yl 4-aminobenzoate

Structural Information

Molecular Formula
C10H13NO4
SMILES
C1=CC(=CC=C1C(=O)OC(CO)CO)N
InChI
InChI=1S/C10H13NO4/c11-8-3-1-7(2-4-8)10(14)15-9(5-12)6-13/h1-4,9,12-13H,5-6,11H2
InChIKey
DNWWTEIXNIQRQP-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

413
Patents

211.08446 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.09174 145.8
[M+Na]+ 234.07368 154.6
[M+NH4]+ 229.11828 151.6
[M+K]+ 250.04762 151.4
[M-H]- 210.07718 145.4
[M+Na-2H]- 232.05913 149.3
[M]+ 211.08391 146.4
[M]- 211.08501 146.4
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