CID 138084

Cyclohexene, 1-hexyl-

Structural Information

Molecular Formula
C12H22
SMILES
CCCCCCC1=CCCCC1
InChI
InChI=1S/C12H22/c1-2-3-4-6-9-12-10-7-5-8-11-12/h10H,2-9,11H2,1H3
InChIKey
NEFDOOJYBCQHHV-UHFFFAOYSA-N
Compound name
1-hexylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

202
Patents

166.17215 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.179426 141.4
[M+Na]+ 189.161368 145.4
[M-H]- 165.164874 143.6
[M+NH4]+ 184.205973 161.9
[M+K]+ 205.135308 143.3
[M+H-H2O]+ 149.169410 135.4
[M+HCOO]- 211.170351 162.0
[M+CH3COO]- 225.186001 181.4
[M+Na-2H]- 187.146816 146.0
[M]+ 166.17160142 139.5
[M]- 166.17269858 139.5
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