CID 37217

35685-97-3

Structural Information

Molecular Formula
C19H21NO5
SMILES
CC1=C(OC2=CC3=C(C=C12)OC=CO3)C(=O)OCCN4CCCCC4
InChI
InChI=1S/C19H21NO5/c1-13-14-11-16-17(23-10-9-22-16)12-15(14)25-18(13)19(21)24-8-7-20-5-3-2-4-6-20/h9-12H,2-8H2,1H3
InChIKey
PMLFGHARWFXZEL-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl 8-methylfuro[2,3-g][1,4]benzodioxine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.14197 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.14925 178.7
[M+Na]+ 366.13119 185.4
[M-H]- 342.13469 187.2
[M+NH4]+ 361.17579 190.1
[M+K]+ 382.10513 185.4
[M+H-H2O]+ 326.13923 170.6
[M+HCOO]- 388.14017 193.2
[M+CH3COO]- 402.15582 189.3
[M+Na-2H]- 364.11664 182.6
[M]+ 343.14142 182.6
[M]- 343.14252 182.6
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.