CID 53687418

3-ethylpent-3-en-1-ol

Structural Information

Molecular Formula
C7H14O
SMILES
CCC(=CC)CCO
InChI
InChI=1S/C7H14O/c1-3-7(4-2)5-6-8/h3,8H,4-6H2,1-2H3
InChIKey
BKUZULFHUKNCGI-UHFFFAOYSA-N
Compound name
3-ethylpent-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

114.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.111736 126.2
[M+Na]+ 137.093678 132.8
[M-H]- 113.097184 125.1
[M+NH4]+ 132.138283 148.5
[M+K]+ 153.067618 131.8
[M+H-H2O]+ 97.101720 122.2
[M+HCOO]- 159.102661 147.7
[M+CH3COO]- 173.118311 168.8
[M+Na-2H]- 135.079126 131.1
[M]+ 114.10391142 126.0
[M]- 114.10500858 126.0
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