CID 69389

3-buten-1-ol

Structural Information

Molecular Formula
C4H8O
SMILES
C=CCCO
InChI
InChI=1S/C4H8O/c1-2-3-4-5/h2,5H,1,3-4H2
InChIKey
ZSPTYLOMNJNZNG-UHFFFAOYSA-N
Compound name
but-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

85
References

18200
Patents

72.05752 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.064796 111.8
[M+Na]+ 95.046738 122.8
[M+NH4]+ 90.091343 120.4
[M+K]+ 111.02068 117.1
[M-H]- 71.050244 111.3
[M+Na-2H]- 93.032186 116.4
[M]+ 72.056971 113.0
[M]- 72.058069 113.0
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