CID 12757

Vinylcyclohexane

Structural Information

Molecular Formula
C8H14
SMILES
C=CC1CCCCC1
InChI
InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h2,8H,1,3-7H2
InChIKey
LDLDYFCCDKENPD-UHFFFAOYSA-N
Compound name
ethenylcyclohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

50290
Patents

110.10955 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.11683 123.6
[M+Na]+ 133.09877 128.5
[M-H]- 109.10227 126.3
[M+NH4]+ 128.14337 146.1
[M+K]+ 149.07271 127.2
[M+H-H2O]+ 93.106810 118.5
[M+HCOO]- 155.10775 144.3
[M+CH3COO]- 169.12340 168.7
[M+Na-2H]- 131.08422 129.4
[M]+ 110.10900 118.1
[M]- 110.11010 118.1
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