CID 54473929

1-methoxyhex-5-en-2-ol

Structural Information

Molecular Formula
C7H14O2
SMILES
COCC(CCC=C)O
InChI
InChI=1S/C7H14O2/c1-3-4-5-7(8)6-9-2/h3,7-8H,1,4-6H2,2H3
InChIKey
WZEGCVFTCLQLCX-UHFFFAOYSA-N
Compound name
1-methoxyhex-5-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

130.09938 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.106656 129.1
[M+Na]+ 153.088598 135.6
[M-H]- 129.092104 127.9
[M+NH4]+ 148.133203 150.6
[M+K]+ 169.062538 135.0
[M+H-H2O]+ 113.096640 124.8
[M+HCOO]- 175.097581 150.8
[M+CH3COO]- 189.113231 171.4
[M+Na-2H]- 151.074046 133.9
[M]+ 130.09883142 130.4
[M]- 130.09992858 130.4
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