CID 3057837

Chloro-6 oxa-1 oxo-2 aza-3 (dimethylamino ethoxy carbonyl)-3 spiro(4.5)decane chlorhydrate

Structural Information

Molecular Formula
C13H21ClN2O4
SMILES
CN(C)CCOC(=O)N1CC2(CCCC[C@H]2Cl)OC1=O
InChI
InChI=1S/C13H21ClN2O4/c1-15(2)7-8-19-11(17)16-9-13(20-12(16)18)6-4-3-5-10(13)14/h10H,3-9H2,1-2H3/t10-,13?/m1/s1
InChIKey
RICDANLUMWIVBJ-VUUHIHSGSA-N
Compound name
2-(dimethylamino)ethyl (6R)-6-chloro-2-oxo-1-oxa-3-azaspiro[4.5]decane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.119 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12628 168.3
[M+Na]+ 327.10822 173.8
[M-H]- 303.11172 173.7
[M+NH4]+ 322.15282 185.8
[M+K]+ 343.08216 173.1
[M+H-H2O]+ 287.11626 162.4
[M+HCOO]- 349.11720 181.4
[M+CH3COO]- 363.13285 203.8
[M+Na-2H]- 325.09367 169.1
[M]+ 304.11845 169.7
[M]- 304.11955 169.7
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.