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]+ 129.09100 125.7
[M+Na]+ 151.07294 132.5
[M-H]- 127.07644 128.3
[M+NH4]+ 146.11754 149.4
[M+K]+ 167.04688 132.3
[M+H-H2O]+ 111.08098 122.0
[M+HCOO]- 173.08192 146.9
[M+CH3COO]- 187.09757 166.1
[M+Na-2H]- 149.05839 132.5
[M]+ 128.08317 123.8
[M]- 128.08427 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.