CID 155820848

2490426-25-8

Structural Information

Molecular Formula
C18H22O6
SMILES
CC(C)(C)OC(=O)C1C(C1C(=O)OCC2=CC=CC=C2)C(=O)OC
InChI
InChI=1S/C18H22O6/c1-18(2,3)24-17(21)14-12(15(19)22-4)13(14)16(20)23-10-11-8-6-5-7-9-11/h5-9,12-14H,10H2,1-4H3
InChIKey
WUXCBATYUISGMR-UHFFFAOYSA-N
Compound name
2-O-benzyl 3-O-tert-butyl 1-O-methyl cyclopropane-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.14163 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.148906 174.5
[M+Na]+ 357.130848 181.9
[M-H]- 333.134354 181.8
[M+NH4]+ 352.175453 183.8
[M+K]+ 373.104788 180.0
[M+H-H2O]+ 317.138890 167.8
[M+HCOO]- 379.139831 193.8
[M+CH3COO]- 393.155481 211.3
[M+Na-2H]- 355.116296 175.1
[M]+ 334.14108142 183.5
[M]- 334.14217858 183.5
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.