CID 16688

4-tert-butylcyclohex-1-ene

Structural Information

Molecular Formula
C10H18
SMILES
CC(C)(C)C1CCC=CC1
InChI
InChI=1S/C10H18/c1-10(2,3)9-7-5-4-6-8-9/h4-5,9H,6-8H2,1-3H3
InChIKey
PJTMQLHFQYFBBB-UHFFFAOYSA-N
Compound name
4-tert-butylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

322
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 131.8
[M+Na]+ 161.130068 137.3
[M-H]- 137.133574 134.9
[M+NH4]+ 156.174673 153.7
[M+K]+ 177.104008 136.2
[M+H-H2O]+ 121.138110 127.0
[M+HCOO]- 183.139051 151.6
[M+CH3COO]- 197.154701 174.9
[M+Na-2H]- 159.115516 138.2
[M]+ 138.14030142 128.7
[M]- 138.14139858 128.7
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