CID 50988895

2-chloro-n-{1,4-dioxaspiro[4.5]decan-8-yl}acetamide

Structural Information

Molecular Formula
C10H16ClNO3
SMILES
C1CC2(CCC1NC(=O)CCl)OCCO2
InChI
InChI=1S/C10H16ClNO3/c11-7-9(13)12-8-1-3-10(4-2-8)14-5-6-15-10/h8H,1-7H2,(H,12,13)
InChIKey
SXWDERBJDCRJQN-UHFFFAOYSA-N
Compound name
2-chloro-N-(1,4-dioxaspiro[4.5]decan-8-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.08188 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.08916 151.8
[M+Na]+ 256.07110 156.5
[M-H]- 232.07460 157.5
[M+NH4]+ 251.11570 171.0
[M+K]+ 272.04504 155.8
[M+H-H2O]+ 216.07914 147.1
[M+HCOO]- 278.08008 165.3
[M+CH3COO]- 292.09573 186.0
[M+Na-2H]- 254.05655 156.6
[M]+ 233.08133 149.5
[M]- 233.08243 149.5
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.