CID 278600

4-cyclopentene-1,3-diol

Structural Information

Molecular Formula
C5H8O2
SMILES
C1C(C=CC1O)O
InChI
InChI=1S/C5H8O2/c6-4-1-2-5(7)3-4/h1-2,4-7H,3H2
InChIKey
IGRLIBJHDBWKNA-UHFFFAOYSA-N
Compound name
cyclopent-4-ene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

630
Patents

100.05243 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.05971 117.1
[M+Na]+ 123.04165 125.1
[M-H]- 99.045154 118.4
[M+NH4]+ 118.08625 140.8
[M+K]+ 139.01559 123.8
[M+H-H2O]+ 83.049690 113.1
[M+HCOO]- 145.05063 139.6
[M+CH3COO]- 159.06628 159.5
[M+Na-2H]- 121.02710 122.5
[M]+ 100.05188 114.2
[M]- 100.05298 114.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe