CID 140447

2,3-butadien-1-ol

Structural Information

Molecular Formula
C4H6O
SMILES
C=C=CCO
InChI
InChI=1S/C4H6O/c1-2-3-4-5/h3,5H,1,4H2
InChIKey
JXKCVRNKAPHWJG-UHFFFAOYSA-N
Compound name
buta-2,3-dien-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

315
Patents

70.04186 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 71.049136 110.2
[M+Na]+ 93.031078 118.6
[M-H]- 69.034584 109.6
[M+NH4]+ 88.075683 134.2
[M+K]+ 109.00502 117.4
[M+H-H2O]+ 53.039120 106.9
[M+HCOO]- 115.04006 133.9
[M+CH3COO]- 129.05571 157.8
[M+Na-2H]- 91.016526 118.1
[M]+ 70.041311 108.9
[M]- 70.042409 108.9
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.