CID 199855

5117-85-1

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
1
Annotation Hits

0
References

158
Patents

111.06841 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 122.3
[M+Na]+ 134.05763 131.6
[M+NH4]+ 129.10223 128.9
[M+K]+ 150.03157 123.3
[M-H]- 110.06113 115.9
[M+Na-2H]- 132.04308 126.0
[M]+ 111.06786 120.9
[M]- 111.06896 120.9
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