CID 21584940

Bicyclo[2.2.1]hept-2-ene, 5-hexyl-

Structural Information

Molecular Formula
C13H22
SMILES
CCCCCCC1CC2CC1C=C2
InChI
InChI=1S/C13H22/c1-2-3-4-5-6-12-9-11-7-8-13(12)10-11/h7-8,11-13H,2-6,9-10H2,1H3
InChIKey
WMWDGZLDLRCDRG-UHFFFAOYSA-N
Compound name
5-hexylbicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2910
Patents

178.17215 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.179426 146.9
[M+Na]+ 201.161368 153.1
[M-H]- 177.164874 149.2
[M+NH4]+ 196.205973 172.4
[M+K]+ 217.135308 150.2
[M+H-H2O]+ 161.169410 142.1
[M+HCOO]- 223.170351 168.3
[M+CH3COO]- 237.186001 184.6
[M+Na-2H]- 199.146816 149.2
[M]+ 178.17160142 147.8
[M]- 178.17269858 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe