CID 11173

3-methyl-2-buten-1-ol

Structural Information

Molecular Formula
C5H10O
SMILES
CC(=CCO)C
InChI
InChI=1S/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
InChIKey
ASUAYTHWZCLXAN-UHFFFAOYSA-N
Compound name
3-methylbut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

111
References

10011
Patents

86.073166 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.080442 116.9
[M+Na]+ 109.06238 127.4
[M+NH4]+ 104.10699 125.2
[M+K]+ 125.03632 122.2
[M-H]- 85.065890 116.2
[M+Na-2H]- 107.04783 120.8
[M]+ 86.072617 117.9
[M]- 86.073715 117.9
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