CID 137878

Cyclohexene, 1-butyl-

Structural Information

Molecular Formula
C10H18
SMILES
CCCCC1=CCCCC1
InChI
InChI=1S/C10H18/c1-2-3-7-10-8-5-4-6-9-10/h8H,2-7,9H2,1H3
InChIKey
INNYVOGDZSDNIP-UHFFFAOYSA-N
Compound name
1-butylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

305
Patents

138.14085 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.148126 132.1
[M+Na]+ 161.130068 137.0
[M-H]- 137.133574 134.8
[M+NH4]+ 156.174673 153.7
[M+K]+ 177.104008 135.5
[M+H-H2O]+ 121.138110 126.6
[M+HCOO]- 183.139051 153.4
[M+CH3COO]- 197.154701 175.3
[M+Na-2H]- 159.115516 137.9
[M]+ 138.14030142 129.5
[M]- 138.14139858 129.5
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