CID 50990612

4-(prop-2-yn-1-yl)oxan-4-ol

Structural Information

Molecular Formula
C8H12O2
SMILES
C#CCC1(CCOCC1)O
InChI
InChI=1S/C8H12O2/c1-2-3-8(9)4-6-10-7-5-8/h1,9H,3-7H2
InChIKey
IHPXIGYAZFZPPH-UHFFFAOYSA-N
Compound name
4-prop-2-ynyloxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

140.08372 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 126.9
[M+Na]+ 163.072938 135.7
[M-H]- 139.076444 128.4
[M+NH4]+ 158.117543 146.2
[M+K]+ 179.046878 133.1
[M+H-H2O]+ 123.080980 116.8
[M+HCOO]- 185.081921 140.7
[M+CH3COO]- 199.097571 178.1
[M+Na-2H]- 161.058386 133.9
[M]+ 140.08317142 118.9
[M]- 140.08426858 118.9
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