CID 75644

Cyclopropylmethanol

Structural Information

Molecular Formula
C4H8O
SMILES
C1CC1CO
InChI
InChI=1S/C4H8O/c5-3-4-1-2-4/h4-5H,1-3H2
InChIKey
GUDMZGLFZNLYEY-UHFFFAOYSA-N
Compound name
cyclopropylmethanol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

27
References

18962
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 111.2
[M+Na]+ 95.046738 120.9
[M-H]- 71.050244 115.1
[M+NH4]+ 90.091343 130.2
[M+K]+ 111.02068 119.6
[M+H-H2O]+ 55.054780 106.3
[M+HCOO]- 117.05572 134.8
[M+CH3COO]- 131.07137 163.1
[M+Na-2H]- 93.032186 119.6
[M]+ 72.056971 112.6
[M]- 72.058069 112.6
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