CID 120438

887-17-2

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]+ 243.13394 151.6
[M+Na]+ 265.11588 156.3
[M-H]- 241.11938 152.9
[M+NH4]+ 260.16048 167.8
[M+K]+ 281.08982 157.1
[M+H-H2O]+ 225.12392 144.2
[M+HCOO]- 287.12486 165.5
[M+CH3COO]- 301.14051 186.8
[M+Na-2H]- 263.10133 152.5
[M]+ 242.12611 144.1
[M]- 242.12721 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.