CID 53420227

1-cyclopropylethane-1,2-diol

Structural Information

Molecular Formula
C5H10O2
SMILES
C1CC1C(CO)O
InChI
InChI=1S/C5H10O2/c6-3-5(7)4-1-2-4/h4-7H,1-3H2
InChIKey
BGVZHHMFIIQQEX-UHFFFAOYSA-N
Compound name
1-cyclopropylethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

106
Patents

102.06808 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.075356 118.1
[M+Na]+ 125.057298 126.7
[M-H]- 101.060804 120.4
[M+NH4]+ 120.101903 135.1
[M+K]+ 141.031238 124.8
[M+H-H2O]+ 85.065340 113.2
[M+HCOO]- 147.066281 139.2
[M+CH3COO]- 161.081931 166.2
[M+Na-2H]- 123.042746 124.3
[M]+ 102.06753142 118.9
[M]- 102.06862858 118.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe