CID 205178

17538-83-9

Structural Information

Molecular Formula
C18H26ClN
SMILES
CN(C)CCCC1=C2C=C(C=CC2C3CCCC1C3)Cl
InChI
InChI=1S/C18H26ClN/c1-20(2)10-4-7-16-13-5-3-6-14(11-13)17-9-8-15(19)12-18(16)17/h8-9,12-14,17H,3-7,10-11H2,1-2H3
InChIKey
MQYFKMBDAWZIQW-UHFFFAOYSA-N
Compound name
3-(5-chloro-8-tricyclo[7.3.1.02,7]trideca-3,5,7-trienyl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.17538 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.18266 170.2
[M+Na]+ 314.16460 175.5
[M-H]- 290.16810 173.7
[M+NH4]+ 309.20920 189.8
[M+K]+ 330.13854 170.0
[M+H-H2O]+ 274.17264 163.7
[M+HCOO]- 336.17358 182.2
[M+CH3COO]- 350.18923 211.4
[M+Na-2H]- 312.15005 173.6
[M]+ 291.17483 170.5
[M]- 291.17593 170.5
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.