CID 47871

Brn 0814233

Structural Information

Molecular Formula
C14H22N2O4
SMILES
CC1CC2(CC(OC2=O)CN3CCN(CC3)C)C(=O)O1
InChI
InChI=1S/C14H22N2O4/c1-10-7-14(12(17)19-10)8-11(20-13(14)18)9-16-5-3-15(2)4-6-16/h10-11H,3-9H2,1-2H3
InChIKey
JWROASAEERUKJR-UHFFFAOYSA-N
Compound name
8-methyl-3-[(4-methylpiperazin-1-yl)methyl]-2,7-dioxaspiro[4.4]nonane-1,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.15796 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.165236 164.9
[M+Na]+ 305.147178 171.2
[M-H]- 281.150684 171.7
[M+NH4]+ 300.191783 181.2
[M+K]+ 321.121118 171.0
[M+H-H2O]+ 265.155220 158.6
[M+HCOO]- 327.156161 178.7
[M+CH3COO]- 341.171811 197.6
[M+Na-2H]- 303.132626 163.5
[M]+ 282.15741142 162.3
[M]- 282.15850858 162.3
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.