CID 99793

4,7-methanoisoindoline, 3a,7a-dihydro-2-(diethylaminoethyl)-

Structural Information

Molecular Formula
C15H26N2
SMILES
CCN(CC)CCN1CC2C3CC(C2C1)C=C3
InChI
InChI=1S/C15H26N2/c1-3-16(4-2)7-8-17-10-14-12-5-6-13(9-12)15(14)11-17/h5-6,12-15H,3-4,7-11H2,1-2H3
InChIKey
CICDOJLASYRIJX-UHFFFAOYSA-N
Compound name
2-(4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.2096 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.216876 162.3
[M+Na]+ 257.198818 167.7
[M-H]- 233.202324 165.6
[M+NH4]+ 252.243423 187.1
[M+K]+ 273.172758 165.5
[M+H-H2O]+ 217.206860 156.4
[M+HCOO]- 279.207801 182.3
[M+CH3COO]- 293.223451 200.7
[M+Na-2H]- 255.184266 161.4
[M]+ 234.20905142 163.5
[M]- 234.21014858 163.5
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.