CID 199855

1-hydroxycyclopentanecarbonitrile

Structural Information

Molecular Formula
C6H9NO
SMILES
C1CCC(C1)(C#N)O
InChI
InChI=1S/C6H9NO/c7-5-6(8)3-1-2-4-6/h8H,1-4H2
InChIKey
JZHFFOQSXKDOSX-UHFFFAOYSA-N
Compound name
1-hydroxycyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

164
Patents

111.06841 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 122.8
[M+Na]+ 134.057628 132.6
[M-H]- 110.061134 125.2
[M+NH4]+ 129.102233 146.0
[M+K]+ 150.031568 129.5
[M+H-H2O]+ 94.065670 112.3
[M+HCOO]- 156.066611 141.6
[M+CH3COO]- 170.082261 177.4
[M+Na-2H]- 132.043076 128.9
[M]+ 111.06786142 114.8
[M]- 111.06895858 114.8
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