CID 16685329

198991-85-4

Structural Information

Molecular Formula
C18H37Al2N3O9
SMILES
C1CO[Al-]2(OCCN1CCO2)OCCN(CCO)CCO[Al-]34OCCN(CCO3)CCO4
InChI
InChI=1S/C6H13NO3.2C6H12NO3.2Al/c3*8-4-1-7(2-5-9)3-6-10;;/h8H,1-6H2;2*1-6H2;;/q-2;2*-3;2*+3
InChIKey
GRHAFWRWYFVXHJ-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.21606 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.22334 112.8
[M+Na]+ 516.20528 112.8
[M-H]- 492.20878 112.8
[M+NH4]+ 511.24988 112.8
[M+K]+ 532.17922 112.8
[M+H-H2O]+ 476.21332 112.8
[M+HCOO]- 538.21426 112.8
[M+CH3COO]- 552.22991 112.8
[M+Na-2H]- 514.19073 112.8
[M]+ 493.21551 112.8
[M]- 493.21661 112.8
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.