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 162.3
[M+Na]+ 280.20358 165.7
[M-H]- 256.20708 165.7
[M+NH4]+ 275.24818 182.1
[M+K]+ 296.17752 162.0
[M+H-H2O]+ 240.21162 154.8
[M+HCOO]- 302.21256 178.8
[M+CH3COO]- 316.22821 206.6
[M+Na-2H]- 278.18903 166.9
[M]+ 257.21381 159.9
[M]- 257.21491 159.9
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.