CID 11564466

1-methylcyclopropan-1-ol

Structural Information

Molecular Formula
C4H8O
SMILES
CC1(CC1)O
InChI
InChI=1S/C4H8O/c1-4(5)2-3-4/h5H,2-3H2,1H3
InChIKey
NCTCZGRRDXIGIY-UHFFFAOYSA-N
Compound name
1-methylcyclopropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1719
Patents

72.05752 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 73.064796 112.0
[M+Na]+ 95.046738 122.3
[M-H]- 71.050244 116.2
[M+NH4]+ 90.091343 132.8
[M+K]+ 111.02068 121.9
[M+H-H2O]+ 55.054780 108.4
[M+HCOO]- 117.05572 135.2
[M+CH3COO]- 131.07137 162.7
[M+Na-2H]- 93.032186 121.3
[M]+ 72.056971 113.7
[M]- 72.058069 113.7
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