CID 3063816

9-(n-ethylacetamide)julolidine

Structural Information

Molecular Formula
C16H22N2O
SMILES
CCN(C1=CC2=C3C(=C1)CCCN3CCC2)C(=O)C
InChI
InChI=1S/C16H22N2O/c1-3-18(12(2)19)15-10-13-6-4-8-17-9-5-7-14(11-15)16(13)17/h10-11H,3-9H2,1-2H3
InChIKey
ULBOJOPYVREZDM-UHFFFAOYSA-N
Compound name
N-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.17322 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.180496 161.1
[M+Na]+ 281.162438 165.1
[M-H]- 257.165944 164.2
[M+NH4]+ 276.207043 179.0
[M+K]+ 297.136378 162.4
[M+H-H2O]+ 241.170480 152.8
[M+HCOO]- 303.171421 176.7
[M+CH3COO]- 317.187071 204.7
[M+Na-2H]- 279.147886 165.3
[M]+ 258.17267142 158.7
[M]- 258.17376858 158.7
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.