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]+ 283.16524 164.9
[M+Na]+ 305.14718 171.2
[M-H]- 281.15068 171.7
[M+NH4]+ 300.19178 181.2
[M+K]+ 321.12112 171.0
[M+H-H2O]+ 265.15522 158.6
[M+HCOO]- 327.15616 178.7
[M+CH3COO]- 341.17181 197.6
[M+Na-2H]- 303.13263 163.5
[M]+ 282.15741 162.3
[M]- 282.15851 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.