CID 73152492

Hept-6-ene-3,4-diol

Structural Information

Molecular Formula
C7H14O2
SMILES
CCC(C(CC=C)O)O
InChI
InChI=1S/C7H14O2/c1-3-5-7(9)6(8)4-2/h3,6-9H,1,4-5H2,2H3
InChIKey
GFZRLIFMQSTZOG-UHFFFAOYSA-N
Compound name
hept-6-ene-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

130.09938 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.106656 130.3
[M+Na]+ 153.088598 136.1
[M-H]- 129.092104 127.8
[M+NH4]+ 148.133203 151.0
[M+K]+ 169.062538 135.1
[M+H-H2O]+ 113.096640 126.2
[M+HCOO]- 175.097581 149.5
[M+CH3COO]- 189.113231 169.6
[M+Na-2H]- 151.074046 133.2
[M]+ 130.09883142 129.0
[M]- 130.09992858 129.0
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