CID 3062816

Brn 0268845

Structural Information

Molecular Formula
C10H13IN2O4
SMILES
CC1CC2(CC(O1)CI)C(=O)NC(=O)NC2=O
InChI
InChI=1S/C10H13IN2O4/c1-5-2-10(3-6(4-11)17-5)7(14)12-9(16)13-8(10)15/h5-6H,2-4H2,1H3,(H2,12,13,14,15,16)
InChIKey
QQBHISYSMLPYAB-UHFFFAOYSA-N
Compound name
10-(iodomethyl)-8-methyl-9-oxa-2,4-diazaspiro[5.5]undecane-1,3,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.992 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.99928 158.3
[M+Na]+ 374.98122 158.4
[M-H]- 350.98472 152.0
[M+NH4]+ 370.02582 168.0
[M+K]+ 390.95516 161.8
[M+H-H2O]+ 334.98926 148.2
[M+HCOO]- 396.99020 165.3
[M+CH3COO]- 411.00585 194.7
[M+Na-2H]- 372.96667 149.6
[M]+ 351.99145 149.7
[M]- 351.99255 149.7
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.