CID 68664941

120871-64-9

Structural Information

Molecular Formula
C7H12O2
SMILES
C=CC[C@@H]1COC[C@H]1O
InChI
InChI=1S/C7H12O2/c1-2-3-6-4-9-5-7(6)8/h2,6-8H,1,3-5H2/t6-,7-/m1/s1
InChIKey
DVVPXYBQHQSSCX-RNFRBKRXSA-N
Compound name
(3S,4R)-4-prop-2-enyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

128.08372 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.090996 126.2
[M+Na]+ 151.072938 133.1
[M-H]- 127.076444 128.8
[M+NH4]+ 146.117543 148.1
[M+K]+ 167.046878 132.7
[M+H-H2O]+ 111.080980 121.8
[M+HCOO]- 173.081921 147.3
[M+CH3COO]- 187.097571 167.6
[M+Na-2H]- 149.058386 131.1
[M]+ 128.08317142 124.4
[M]- 128.08426858 124.4
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