CID 93350

1-(cyclohex-3-en-1-yl)ethane-1,2-diol

Structural Information

Molecular Formula
C8H14O2
SMILES
C1CC(CC=C1)C(CO)O
InChI
InChI=1S/C8H14O2/c9-6-8(10)7-4-2-1-3-5-7/h1-2,7-10H,3-6H2
InChIKey
NPZGQIIAVOOHNM-UHFFFAOYSA-N
Compound name
1-cyclohex-3-en-1-ylethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

142.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 131.2
[M+Na]+ 165.08860 135.8
[M-H]- 141.09210 131.4
[M+NH4]+ 160.13320 151.1
[M+K]+ 181.06254 134.3
[M+H-H2O]+ 125.09664 126.2
[M+HCOO]- 187.09758 149.6
[M+CH3COO]- 201.11323 168.6
[M+Na-2H]- 163.07405 135.7
[M]+ 142.09883 126.3
[M]- 142.09993 126.3
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

patents stripe