CID 12396302

15745-87-6

Structural Information

Molecular Formula
C9H16O
SMILES
C1CC=CC(C1)CCCO
InChI
InChI=1S/C9H16O/c10-8-4-7-9-5-2-1-3-6-9/h2,5,9-10H,1,3-4,6-8H2
InChIKey
SULXKJHFQFLJOY-UHFFFAOYSA-N
Compound name
3-cyclohex-2-en-1-ylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

140.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 131.6
[M+Na]+ 163.10934 136.4
[M-H]- 139.11284 133.0
[M+NH4]+ 158.15394 152.4
[M+K]+ 179.08328 134.7
[M+H-H2O]+ 123.11738 126.3
[M+HCOO]- 185.11832 152.0
[M+CH3COO]- 199.13397 171.4
[M+Na-2H]- 161.09479 137.3
[M]+ 140.11957 128.1
[M]- 140.12067 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.