CID 47874

66223-19-6

Structural Information

Molecular Formula
C12H20NO4
SMILES
CC1CC2(CC(OC2=O)C[N+](C)(C)C)C(=O)O1
InChI
InChI=1S/C12H20NO4/c1-8-5-12(10(14)16-8)6-9(17-11(12)15)7-13(2,3)4/h8-9H,5-7H2,1-4H3/q+1
InChIKey
KMLDFWXPPAXUIY-UHFFFAOYSA-N
Compound name
trimethyl-[(8-methyl-1,6-dioxo-2,7-dioxaspiro[4.4]nonan-3-yl)methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.13924 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14652 149.1
[M+Na]+ 265.12846 156.8
[M-H]- 241.13196 157.8
[M+NH4]+ 260.17306 170.6
[M+K]+ 281.10240 152.6
[M+H-H2O]+ 225.13650 149.1
[M+HCOO]- 287.13744 169.6
[M+CH3COO]- 301.15309 188.6
[M+Na-2H]- 263.11391 156.9
[M]+ 242.13869 149.9
[M]- 242.13979 149.9
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.