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
5
Annotation Hits

85
References

24603
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 111.6
[M+Na]+ 95.046738 119.6
[M-H]- 71.050244 110.9
[M+NH4]+ 90.091343 135.5
[M+K]+ 111.02068 119.0
[M+H-H2O]+ 55.054780 108.1
[M+HCOO]- 117.05572 135.0
[M+CH3COO]- 131.07137 159.5
[M+Na-2H]- 93.032186 119.5
[M]+ 72.056971 111.0
[M]- 72.058069 111.0
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