CID 241793

[1-(hydroxymethyl)cyclopentyl]methanol

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

829
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 128.8
[M+Na]+ 153.08860 134.9
[M-H]- 129.09210 129.3
[M+NH4]+ 148.13320 153.0
[M+K]+ 169.06254 133.4
[M+H-H2O]+ 113.09664 125.0
[M+HCOO]- 175.09758 149.2
[M+CH3COO]- 189.11323 164.4
[M+Na-2H]- 151.07405 134.0
[M]+ 130.09883 125.1
[M]- 130.09993 125.1
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