CID 123361

Cyclopropanol

Structural Information

Molecular Formula
C3H6O
SMILES
C1CC1O
InChI
InChI=1S/C3H6O/c4-3-1-2-3/h3-4H,1-2H2
InChIKey
YOXHCYXIAVIFCZ-UHFFFAOYSA-N
Compound name
cyclopropanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

75
References

31666
Patents

58.041866 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 59.049142 106.9
[M+Na]+ 81.031084 117.0
[M-H]- 57.034590 110.9
[M+NH4]+ 76.075689 126.4
[M+K]+ 97.005024 116.0
[M+H-H2O]+ 41.039126 102.2
[M+HCOO]- 103.04007 130.9
[M+CH3COO]- 117.05572 160.2
[M+Na-2H]- 79.016532 115.9
[M]+ 58.041317 107.9
[M]- 58.042415 107.9
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