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

18
Patents

144.11504 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 134.5
[M+Na]+ 167.104258 138.9
[M-H]- 143.107764 134.5
[M+NH4]+ 162.148863 156.0
[M+K]+ 183.078198 137.5
[M+H-H2O]+ 127.112300 129.6
[M+HCOO]- 189.113241 153.5
[M+CH3COO]- 203.128891 168.7
[M+Na-2H]- 165.089706 136.6
[M]+ 144.11449142 130.2
[M]- 144.11558858 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