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

83
Patents

102.06808 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.07536 118.1
[M+Na]+ 125.05730 126.7
[M-H]- 101.06080 120.4
[M+NH4]+ 120.10190 135.1
[M+K]+ 141.03124 124.8
[M+H-H2O]+ 85.065340 113.2
[M+HCOO]- 147.06628 139.2
[M+CH3COO]- 161.08193 166.2
[M+Na-2H]- 123.04275 124.3
[M]+ 102.06753 118.9
[M]- 102.06863 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