CID 10374415

2-methylidenebutan-1-ol

Structural Information

Molecular Formula
C5H10O
SMILES
CCC(=C)CO
InChI
InChI=1S/C5H10O/c1-3-5(2)4-6/h6H,2-4H2,1H3
InChIKey
JKLUVCHKXQJGIG-UHFFFAOYSA-N
Compound name
2-methylidenebutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

612
Patents

86.073166 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.080442 116.7
[M+Na]+ 109.06238 124.0
[M-H]- 85.065890 115.9
[M+NH4]+ 104.10699 140.0
[M+K]+ 125.03632 123.5
[M+H-H2O]+ 69.070426 113.0
[M+HCOO]- 131.07137 138.8
[M+CH3COO]- 145.08702 163.3
[M+Na-2H]- 107.04783 122.7
[M]+ 86.072617 115.8
[M]- 86.073715 115.8
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