CID 44234503

Isopropyl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate

Structural Information

Molecular Formula
C12H16O5
SMILES
CC(C)OC(=O)C(CC1=CC(=C(C=C1)O)O)O
InChI
InChI=1S/C12H16O5/c1-7(2)17-12(16)11(15)6-8-3-4-9(13)10(14)5-8/h3-5,7,11,13-15H,6H2,1-2H3
InChIKey
ZYFWDUKUSGLMGL-UHFFFAOYSA-N
Compound name
propan-2-yl 3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

46
Patents

240.09978 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10706 153.3
[M+Na]+ 263.08900 162.4
[M+NH4]+ 258.13360 158.4
[M+K]+ 279.06294 160.0
[M-H]- 239.09250 151.6
[M+Na-2H]- 261.07445 155.5
[M]+ 240.09923 153.6
[M]- 240.10033 153.6
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