CID 16684190

34202-30-7

Structural Information

Molecular Formula
C3H4AlO4
SMILES
CC(=O)O[Al]OC=O
InChI
InChI=1S/C2H4O2.CH2O2.Al/c1-2(3)4;2-1-3;/h1H3,(H,3,4);1H,(H,2,3);/q;;+2/p-2
InChIKey
GYTRXENSAMYSBC-UHFFFAOYSA-L
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

130.9925 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.999776 119.4
[M+Na]+ 153.981718 127.8
[M-H]- 129.985224 120.1
[M+NH4]+ 149.026323 141.9
[M+K]+ 169.955658 129.3
[M+H-H2O]+ 113.989760 115.0
[M+HCOO]- 175.990701 144.2
[M+CH3COO]- 190.006351 167.4
[M+Na-2H]- 151.967166 126.4
[M]+ 130.99195142 123.7
[M]- 130.99304858 123.7
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