CID 120438

Brn 0804970

Structural Information

Molecular Formula
C11H18N2O4
SMILES
C1CCCC2(CC1)C(=O)N(C(=O)N2CO)CO
InChI
InChI=1S/C11H18N2O4/c14-7-12-9(16)11(13(8-15)10(12)17)5-3-1-2-4-6-11/h14-15H,1-8H2
InChIKey
LYHSUZXEIZBGSD-UHFFFAOYSA-N
Compound name
1,3-bis(hydroxymethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.12666 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.133936 151.6
[M+Na]+ 265.115878 156.3
[M-H]- 241.119384 152.9
[M+NH4]+ 260.160483 167.8
[M+K]+ 281.089818 157.1
[M+H-H2O]+ 225.123920 144.2
[M+HCOO]- 287.124861 165.5
[M+CH3COO]- 301.140511 186.8
[M+Na-2H]- 263.101326 152.5
[M]+ 242.12611142 144.1
[M]- 242.12720858 144.1
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.