CID 3018860

Einecs 279-247-3

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC1(CC(CC(N1)(C)C)N2C(=O)C3CCC=CC3C2=O)C
InChI
InChI=1S/C17H26N2O2/c1-16(2)9-11(10-17(3,4)18-16)19-14(20)12-7-5-6-8-13(12)15(19)21/h5,7,11-13,18H,6,8-10H2,1-4H3
InChIKey
VVUWERMQUQLKSQ-UHFFFAOYSA-N
Compound name
2-(2,2,6,6-tetramethylpiperidin-4-yl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.19943 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.206706 170.3
[M+Na]+ 313.188648 177.5
[M-H]- 289.192154 173.3
[M+NH4]+ 308.233253 189.6
[M+K]+ 329.162588 172.8
[M+H-H2O]+ 273.196690 163.4
[M+HCOO]- 335.197631 182.1
[M+CH3COO]- 349.213281 201.2
[M+Na-2H]- 311.174096 169.6
[M]+ 290.19888142 164.7
[M]- 290.19997858 164.7
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

patents stripe