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

13
Patents

128.08372 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 126.2
[M+Na]+ 151.07294 133.1
[M-H]- 127.07644 128.8
[M+NH4]+ 146.11754 148.1
[M+K]+ 167.04688 132.7
[M+H-H2O]+ 111.08098 121.8
[M+HCOO]- 173.08192 147.3
[M+CH3COO]- 187.09757 167.6
[M+Na-2H]- 149.05839 131.1
[M]+ 128.08317 124.4
[M]- 128.08427 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