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]+ 335.14891 174.5
[M+Na]+ 357.13085 181.9
[M-H]- 333.13435 181.8
[M+NH4]+ 352.17545 183.8
[M+K]+ 373.10479 180.0
[M+H-H2O]+ 317.13889 167.8
[M+HCOO]- 379.13983 193.8
[M+CH3COO]- 393.15548 211.3
[M+Na-2H]- 355.11630 175.1
[M]+ 334.14108 183.5
[M]- 334.14218 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.