CID 43166

3,8-bis((diethylamino)methyl)-2,7-dioxaspiro(4.4)nonane-1,6-dione

Structural Information

Molecular Formula
C17H30N2O4
SMILES
CCN(CC)CC1CC2(CC(OC2=O)CN(CC)CC)C(=O)O1
InChI
InChI=1S/C17H30N2O4/c1-5-18(6-2)11-13-9-17(15(20)22-13)10-14(23-16(17)21)12-19(7-3)8-4/h13-14H,5-12H2,1-4H3
InChIKey
ZGFKGZJYOYPZLW-UHFFFAOYSA-N
Compound name
3,8-bis(diethylaminomethyl)-2,7-dioxaspiro[4.4]nonane-1,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.22055 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.22783 180.2
[M+Na]+ 349.20977 184.4
[M-H]- 325.21327 188.9
[M+NH4]+ 344.25437 198.3
[M+K]+ 365.18371 186.1
[M+H-H2O]+ 309.21781 175.1
[M+HCOO]- 371.21875 201.3
[M+CH3COO]- 385.23440 219.5
[M+Na-2H]- 347.19522 179.7
[M]+ 326.22000 184.9
[M]- 326.22110 184.9
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.