CID 19908939

2-cyclopentylpropane-1,3-diol

Structural Information

Molecular Formula
C8H16O2
SMILES
C1CCC(C1)C(CO)CO
InChI
InChI=1S/C8H16O2/c9-5-8(6-10)7-3-1-2-4-7/h7-10H,1-6H2
InChIKey
XTIMOHSGGBESMC-UHFFFAOYSA-N
Compound name
2-cyclopentylpropane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

144.11504 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.12232 134.5
[M+Na]+ 167.10426 138.9
[M-H]- 143.10776 134.5
[M+NH4]+ 162.14886 156.0
[M+K]+ 183.07820 137.5
[M+H-H2O]+ 127.11230 129.6
[M+HCOO]- 189.11324 153.5
[M+CH3COO]- 203.12889 168.7
[M+Na-2H]- 165.08971 136.6
[M]+ 144.11449 130.2
[M]- 144.11559 130.2
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