CID 95497

Einecs 225-757-6

Structural Information

Molecular Formula
C5H10O2
SMILES
C1CC(C(C1)O)O
InChI
InChI=1S/C5H10O2/c6-4-2-1-3-5(4)7/h4-7H,1-3H2
InChIKey
VCVOSERVUCJNPR-UHFFFAOYSA-N
Compound name
cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

10
References

7275
Patents

102.06808 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.07536 119.4
[M+Na]+ 125.05730 126.3
[M-H]- 101.06080 120.2
[M+NH4]+ 120.10190 142.9
[M+K]+ 141.03124 125.2
[M+H-H2O]+ 85.065340 115.3
[M+HCOO]- 147.06628 140.4
[M+CH3COO]- 161.08193 159.9
[M+Na-2H]- 123.04275 123.7
[M]+ 102.06753 115.0
[M]- 102.06863 115.0
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

No patent data available for this compound.