CID 11182662

(1s,2r)-4-[(e)-prop-1-enyl]cyclopentane-1,2-diol

Structural Information

Molecular Formula
C8H14O2
SMILES
C/C=C/C1C[C@H]([C@H](C1)O)O
InChI
InChI=1S/C8H14O2/c1-2-3-6-4-7(9)8(10)5-6/h2-3,6-10H,4-5H2,1H3/b3-2+/t6?,7-,8+
InChIKey
PJFREHRLIJVVST-CYPXNPQDSA-N
Compound name
(1S,2R)-4-[(E)-prop-1-enyl]cyclopentane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

228
References

57
Patents

142.09938 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 131.5
[M+Na]+ 165.08860 138.5
[M-H]- 141.09210 132.3
[M+NH4]+ 160.13320 153.8
[M+K]+ 181.06254 136.0
[M+H-H2O]+ 125.09664 127.3
[M+HCOO]- 187.09758 151.7
[M+CH3COO]- 201.11323 168.6
[M+Na-2H]- 163.07405 133.6
[M]+ 142.09883 127.8
[M]- 142.09993 127.8
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