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]+ 131.99978 119.4
[M+Na]+ 153.98172 127.8
[M-H]- 129.98522 120.1
[M+NH4]+ 149.02632 141.9
[M+K]+ 169.95566 129.3
[M+H-H2O]+ 113.98976 115.0
[M+HCOO]- 175.99070 144.2
[M+CH3COO]- 190.00635 167.4
[M+Na-2H]- 151.96717 126.4
[M]+ 130.99195 123.7
[M]- 130.99305 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