CID 11789291

2-(prop-2-en-1-yl)cyclohexan-1-ol

Structural Information

Molecular Formula
C9H16O
SMILES
C=CCC1CCCCC1O
InChI
InChI=1S/C9H16O/c1-2-5-8-6-3-4-7-9(8)10/h2,8-10H,1,3-7H2
InChIKey
SBIOKFOCGZXJME-UHFFFAOYSA-N
Compound name
2-prop-2-enylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

140.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 131.7
[M+Na]+ 163.10934 136.8
[M-H]- 139.11284 133.2
[M+NH4]+ 158.15394 152.6
[M+K]+ 179.08328 134.6
[M+H-H2O]+ 123.11738 126.7
[M+HCOO]- 185.11832 150.8
[M+CH3COO]- 199.13397 172.0
[M+Na-2H]- 161.09479 135.8
[M]+ 140.11957 126.5
[M]- 140.12067 126.5
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