CID 13198

2-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/h2,4,6-7H,1,3,5H2
InChIKey
PQANGXXSEABURG-UHFFFAOYSA-N
Compound name
cyclohex-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

21
References

5165
Patents

98.073166 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.080442 117.7
[M+Na]+ 121.062384 123.8
[M-H]- 97.065890 119.7
[M+NH4]+ 116.106989 140.2
[M+K]+ 137.036324 122.9
[M+H-H2O]+ 81.070426 113.0
[M+HCOO]- 143.071367 139.1
[M+CH3COO]- 157.087017 162.3
[M+Na-2H]- 119.047832 125.1
[M]+ 98.07261742 113.2
[M]- 98.07371458 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