CID 523966

(prop-1-en-2-yl)cyclohexane

Structural Information

Molecular Formula
C9H16
SMILES
CC(=C)C1CCCCC1
InChI
InChI=1S/C9H16/c1-8(2)9-6-4-3-5-7-9/h9H,1,3-7H2,2H3
InChIKey
SWLGTNLRTUGMHV-UHFFFAOYSA-N
Compound name
prop-1-en-2-ylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

348
Patents

124.1252 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.132476 128.4
[M+Na]+ 147.114418 132.7
[M-H]- 123.117924 131.1
[M+NH4]+ 142.159023 150.4
[M+K]+ 163.088358 131.6
[M+H-H2O]+ 107.122460 123.3
[M+HCOO]- 169.123401 147.8
[M+CH3COO]- 183.139051 172.5
[M+Na-2H]- 145.099866 132.5
[M]+ 124.12465142 122.7
[M]- 124.12574858 122.7
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