CID 527427

2-methylidene-5-(prop-1-en-2-yl)cyclohexan-1-ol

Structural Information

Molecular Formula
C10H16O
SMILES
CC(=C)C1CCC(=C)C(C1)O
InChI
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h9-11H,1,3-6H2,2H3
InChIKey
PNVTXOFNJFHXOK-UHFFFAOYSA-N
Compound name
2-methylidene-5-prop-1-en-2-ylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

66
Patents

152.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.12740 133.9
[M+Na]+ 175.10934 139.6
[M-H]- 151.11284 135.7
[M+NH4]+ 170.15394 154.6
[M+K]+ 191.08328 137.1
[M+H-H2O]+ 135.11738 129.3
[M+HCOO]- 197.11832 151.9
[M+CH3COO]- 211.13397 176.2
[M+Na-2H]- 173.09479 135.6
[M]+ 152.11957 128.1
[M]- 152.12067 128.1
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