CID 13501582

65676-05-3

Structural Information

Molecular Formula
C7H12O2
SMILES
C1COCC=C1CCO
InChI
InChI=1S/C7H12O2/c8-4-1-7-2-5-9-6-3-7/h2,8H,1,3-6H2
InChIKey
UWKOCPDDTXCKJJ-UHFFFAOYSA-N
Compound name
2-(3,6-dihydro-2H-pyran-4-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

128.08372 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 125.3
[M+Na]+ 151.072938 131.1
[M-H]- 127.076444 127.7
[M+NH4]+ 146.117543 145.3
[M+K]+ 167.046878 131.2
[M+H-H2O]+ 111.080980 120.1
[M+HCOO]- 173.081921 145.7
[M+CH3COO]- 187.097571 167.2
[M+Na-2H]- 149.058386 133.2
[M]+ 128.08317142 123.2
[M]- 128.08426858 123.2
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