CID 68812719

2126160-65-2

Structural Information

Molecular Formula
C16H19NO6
SMILES
C1COCCC12N(C(CO2)C(=O)O)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C16H19NO6/c18-14(19)13-11-23-16(6-8-21-9-7-16)17(13)15(20)22-10-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,18,19)
InChIKey
NEMJYOYNAACYIT-UHFFFAOYSA-N
Compound name
4-phenylmethoxycarbonyl-1,8-dioxa-4-azaspiro[4.5]decane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

321.12125 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.12853 172.1
[M+Na]+ 344.11047 175.8
[M-H]- 320.11397 178.5
[M+NH4]+ 339.15507 184.6
[M+K]+ 360.08441 176.4
[M+H-H2O]+ 304.11851 164.6
[M+HCOO]- 366.11945 185.6
[M+CH3COO]- 380.13510 198.9
[M+Na-2H]- 342.09592 174.0
[M]+ 321.12070 170.2
[M]- 321.12180 170.2
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