CID 556685

3-cyclohexen-1-ol

Structural Information

Molecular Formula
C6H10O
SMILES
C1CC(CC=C1)O
InChI
InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-2,6-7H,3-5H2
InChIKey
ABZZOPIABWYXSN-UHFFFAOYSA-N
Compound name
cyclohex-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

833
Patents

98.073166 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 117.7
[M+Na]+ 121.06238 123.8
[M-H]- 97.065890 119.7
[M+NH4]+ 116.10699 140.2
[M+K]+ 137.03632 122.9
[M+H-H2O]+ 81.070426 113.0
[M+HCOO]- 143.07137 139.1
[M+CH3COO]- 157.08702 162.3
[M+Na-2H]- 119.04783 125.1
[M]+ 98.072617 113.2
[M]- 98.073715 113.2
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