CID 10909482

1-penten-4-yn-3-ol

Structural Information

Molecular Formula
C5H6O
SMILES
C=CC(C#C)O
InChI
InChI=1S/C5H6O/c1-3-5(6)4-2/h1,4-6H,2H2
InChIKey
YALSXYCXTKPOFY-UHFFFAOYSA-N
Compound name
pent-1-en-4-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

100
Patents

82.04186 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.049136 114.9
[M+Na]+ 105.03108 124.7
[M-H]- 81.034584 113.9
[M+NH4]+ 100.07568 135.9
[M+K]+ 121.00502 123.0
[M+H-H2O]+ 65.039120 105.4
[M+HCOO]- 127.04006 131.8
[M+CH3COO]- 141.05571 171.9
[M+Na-2H]- 103.01653 120.4
[M]+ 82.041311 108.5
[M]- 82.042409 108.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe