CID 69814

3-penten-1-ol

Structural Information

Molecular Formula
C5H10O
SMILES
CC=CCCO
InChI
InChI=1S/C5H10O/c1-2-3-4-5-6/h2-3,6H,4-5H2,1H3
InChIKey
FSUXYWPILZJGCC-UHFFFAOYSA-N
Compound name
pent-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

2
References

3594
Patents

86.073166 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.080442 116.5
[M+Na]+ 109.06238 124.1
[M-H]- 85.065890 115.7
[M+NH4]+ 104.10699 139.9
[M+K]+ 125.03632 123.2
[M+H-H2O]+ 69.070426 112.8
[M+HCOO]- 131.07137 139.6
[M+CH3COO]- 145.08702 161.9
[M+Na-2H]- 107.04783 123.8
[M]+ 86.072617 116.2
[M]- 86.073715 116.2
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

No patent data available for this compound.