CID 3076131

Vufb-17055

Structural Information

Molecular Formula
C16H24N2O
SMILES
CN(C)CCOC1=CC2=C3C(=C1)CCCN3CCC2
InChI
InChI=1S/C16H24N2O/c1-17(2)9-10-19-15-11-13-5-3-7-18-8-4-6-14(12-15)16(13)18/h11-12H,3-10H2,1-2H3
InChIKey
ACJWFMRGLPVPPI-UHFFFAOYSA-N
Compound name
2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yloxy)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.18887 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.19615 162.0
[M+Na]+ 283.17809 165.8
[M-H]- 259.18159 164.9
[M+NH4]+ 278.22269 179.8
[M+K]+ 299.15203 163.2
[M+H-H2O]+ 243.18613 153.3
[M+HCOO]- 305.18707 178.3
[M+CH3COO]- 319.20272 205.2
[M+Na-2H]- 281.16354 167.3
[M]+ 260.18832 160.9
[M]- 260.18942 160.9
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.