CID 241793

Cyclopentane-1,1-diyldimethanol

Structural Information

Molecular Formula
C7H14O2
SMILES
C1CCC(C1)(CO)CO
InChI
InChI=1S/C7H14O2/c8-5-7(6-9)3-1-2-4-7/h8-9H,1-6H2
InChIKey
OKSKZFYXWJAIIT-UHFFFAOYSA-N
Compound name
[1-(hydroxymethyl)cyclopentyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

774
Patents

130.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 128.4
[M+Na]+ 153.08860 137.0
[M+NH4]+ 148.13320 138.1
[M+K]+ 169.06254 131.9
[M-H]- 129.09210 128.5
[M+Na-2H]- 151.07405 133.4
[M]+ 130.09883 129.5
[M]- 130.09993 129.5
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