CID 215547

35839-95-3

Structural Information

Molecular Formula
C16H19NO5
SMILES
CC1=C(OC2=C1C=CC3=C2OCCO3)C(=O)OCCN(C)C
InChI
InChI=1S/C16H19NO5/c1-10-11-4-5-12-15(20-9-8-19-12)14(11)22-13(10)16(18)21-7-6-17(2)3/h4-5H,6-9H2,1-3H3
InChIKey
TXWZULZWWJBOTL-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 7-methyl-2,3-dihydrofuro[3,2-h][1,4]benzodioxine-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1263 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13358 170.5
[M+Na]+ 328.11552 178.4
[M-H]- 304.11902 179.3
[M+NH4]+ 323.16012 185.8
[M+K]+ 344.08946 180.5
[M+H-H2O]+ 288.12356 164.2
[M+HCOO]- 350.12450 190.3
[M+CH3COO]- 364.14015 210.3
[M+Na-2H]- 326.10097 176.1
[M]+ 305.12575 178.9
[M]- 305.12685 178.9
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.