CID 205176

10-(3-dimethylaminopropylidene)-5,6,7,8,9,10-hexahydro-5,9-methanobenzocyclooctene hcl

Structural Information

Molecular Formula
C18H27N
SMILES
CN(C)CCCC1=C2C=CC=CC2C3CCCC1C3
InChI
InChI=1S/C18H27N/c1-19(2)12-6-11-17-15-8-5-7-14(13-15)16-9-3-4-10-18(16)17/h3-4,9-10,14-16H,5-8,11-13H2,1-2H3
InChIKey
TZHNWNZLSVEGBD-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(8-tricyclo[7.3.1.02,7]trideca-3,5,7-trienyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.21436 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.22164 163.2
[M+Na]+ 280.20358 175.2
[M+NH4]+ 275.24818 174.2
[M+K]+ 296.17752 165.8
[M-H]- 256.20708 167.7
[M+Na-2H]- 278.18903 167.4
[M]+ 257.21381 166.3
[M]- 257.21491 166.3
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.