CID 581486

Trimethyl 1,2,3-propanetricarboxylate

Structural Information

Molecular Formula
C9H14O6
SMILES
COC(=O)CC(CC(=O)OC)C(=O)OC
InChI
InChI=1S/C9H14O6/c1-13-7(10)4-6(9(12)15-3)5-8(11)14-2/h6H,4-5H2,1-3H3
InChIKey
IXINWTSBOAMACD-UHFFFAOYSA-N
Compound name
trimethyl propane-1,2,3-tricarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

218.07904 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08632 146.7
[M+Na]+ 241.06826 153.6
[M+NH4]+ 236.11286 150.8
[M+K]+ 257.04220 152.2
[M-H]- 217.07176 142.4
[M+Na-2H]- 239.05371 146.5
[M]+ 218.07849 145.8
[M]- 218.07959 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe