CID 10557

Methallyl alcohol

Structural Information

Molecular Formula
C4H8O
SMILES
CC(=C)CO
InChI
InChI=1S/C4H8O/c1-4(2)3-5/h5H,1,3H2,2H3
InChIKey
BYDRTKVGBRTTIT-UHFFFAOYSA-N
Compound name
2-methylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

35169
Patents

72.05752 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.064796 112.0
[M+Na]+ 95.046738 119.7
[M-H]- 71.050244 111.4
[M+NH4]+ 90.091343 135.8
[M+K]+ 111.02068 119.5
[M+H-H2O]+ 55.054780 108.5
[M+HCOO]- 117.05572 134.4
[M+CH3COO]- 131.07137 160.3
[M+Na-2H]- 93.032186 118.5
[M]+ 72.056971 110.7
[M]- 72.058069 110.7
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