CID 168020

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

Structural Information

Molecular Formula
C11H18
SMILES
CCCCC1CC2CC1C=C2
InChI
InChI=1S/C11H18/c1-2-3-4-10-7-9-5-6-11(10)8-9/h5-6,9-11H,2-4,7-8H2,1H3
InChIKey
YSWATWCBYRBYBO-UHFFFAOYSA-N
Compound name
5-butylbicyclo[2.2.1]hept-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6068
Patents

150.14085 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.14813 137.4
[M+Na]+ 173.13007 144.5
[M-H]- 149.13357 140.0
[M+NH4]+ 168.17467 164.0
[M+K]+ 189.10401 142.1
[M+H-H2O]+ 133.13811 133.0
[M+HCOO]- 195.13905 159.5
[M+CH3COO]- 209.15470 178.6
[M+Na-2H]- 171.11552 140.8
[M]+ 150.14030 137.6
[M]- 150.14140 137.6
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