CID 79735119

3-(prop-2-en-1-yl)oxolan-3-ol

Structural Information

Molecular Formula
C7H12O2
SMILES
C=CCC1(CCOC1)O
InChI
InChI=1S/C7H12O2/c1-2-3-7(8)4-5-9-6-7/h2,8H,1,3-6H2
InChIKey
GLLGVEJFPXHOOS-UHFFFAOYSA-N
Compound name
3-prop-2-enyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 125.7
[M+Na]+ 151.072938 132.5
[M-H]- 127.076444 128.3
[M+NH4]+ 146.117543 149.4
[M+K]+ 167.046878 132.3
[M+H-H2O]+ 111.080980 122.0
[M+HCOO]- 173.081921 146.9
[M+CH3COO]- 187.097571 166.1
[M+Na-2H]- 149.058386 132.5
[M]+ 128.08317142 123.8
[M]- 128.08426858 123.8
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

No patent data available for this compound.