CID 155819713

2470439-31-5

Structural Information

Molecular Formula
C15H19NO6
SMILES
COC1(CC(C1)(C(=O)O)NC(=O)OCC2=CC=CC=C2)OC
InChI
InChI=1S/C15H19NO6/c1-20-15(21-2)9-14(10-15,12(17)18)16-13(19)22-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,16,19)(H,17,18)
InChIKey
DNBMPKWAUGXJFT-UHFFFAOYSA-N
Compound name
3,3-dimethoxy-1-(phenylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.12125 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12853 171.8
[M+Na]+ 332.11047 175.2
[M-H]- 308.11397 176.6
[M+NH4]+ 327.15507 182.2
[M+K]+ 348.08441 178.1
[M+H-H2O]+ 292.11851 160.7
[M+HCOO]- 354.11945 191.2
[M+CH3COO]- 368.13510 204.4
[M+Na-2H]- 330.09592 175.4
[M]+ 309.12070 183.6
[M]- 309.12180 183.6
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.