CID 131239902

Rac-(1r,2s)-2-(prop-1-en-1-yl)cyclopentan-1-ol

Structural Information

Molecular Formula
C8H14O
SMILES
C/C=C/[C@@H]1CCC[C@H]1O
InChI
InChI=1S/C8H14O/c1-2-4-7-5-3-6-8(7)9/h2,4,7-9H,3,5-6H2,1H3/b4-2+/t7-,8-/m1/s1
InChIKey
JQSOYWKTXACQRM-WGAMGKKUSA-N
Compound name
(1R,2S)-2-[(E)-prop-1-enyl]cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.10446 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 128.4
[M+Na]+ 149.09368 134.9
[M-H]- 125.09718 130.3
[M+NH4]+ 144.13828 151.8
[M+K]+ 165.06762 133.0
[M+H-H2O]+ 109.10172 123.9
[M+HCOO]- 171.10266 149.9
[M+CH3COO]- 185.11831 168.1
[M+Na-2H]- 147.07913 131.7
[M]+ 126.10391 124.8
[M]- 126.10501 124.8
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

No patent data available for this compound.