CID 520424

29279-66-1

Structural Information

Molecular Formula
C5H8O
SMILES
C=C1CC1CO
InChI
InChI=1S/C5H8O/c1-4-2-5(4)3-6/h5-6H,1-3H2
InChIKey
CQFQAARMEJVWAL-UHFFFAOYSA-N
Compound name
(2-methylidenecyclopropyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

84.05752 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.064796 113.8
[M+Na]+ 107.04674 124.2
[M-H]- 83.050244 117.8
[M+NH4]+ 102.09134 132.5
[M+K]+ 123.02068 122.0
[M+H-H2O]+ 67.054780 109.1
[M+HCOO]- 129.05572 137.2
[M+CH3COO]- 143.07137 166.2
[M+Na-2H]- 105.03219 121.0
[M]+ 84.056971 115.2
[M]- 84.058069 115.2
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