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]+ 292.182656 170.2
[M+Na]+ 314.164598 175.5
[M-H]- 290.168104 173.7
[M+NH4]+ 309.209203 189.8
[M+K]+ 330.138538 170.0
[M+H-H2O]+ 274.172640 163.7
[M+HCOO]- 336.173581 182.2
[M+CH3COO]- 350.189231 211.4
[M+Na-2H]- 312.150046 173.6
[M]+ 291.17483142 170.5
[M]- 291.17592858 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.