CID 13410810

2-methylcyclopropan-1-ol

Structural Information

Molecular Formula
C4H8O
SMILES
CC1CC1O
InChI
InChI=1S/C4H8O/c1-3-2-4(3)5/h3-5H,2H2,1H3
InChIKey
IWOYJFLNKCFMOS-UHFFFAOYSA-N
Compound name
2-methylcyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

617
Patents

72.05752 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.064796 110.5
[M+Na]+ 95.046738 121.0
[M-H]- 71.050244 114.7
[M+NH4]+ 90.091343 129.8
[M+K]+ 111.02068 119.7
[M+H-H2O]+ 55.054780 105.9
[M+HCOO]- 117.05572 134.1
[M+CH3COO]- 131.07137 164.2
[M+Na-2H]- 93.032186 118.3
[M]+ 72.056971 112.2
[M]- 72.058069 112.2
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