CID 22636846

194534-83-3

Structural Information

Molecular Formula
C6H9NO
SMILES
C1CC(CC1C#N)O
InChI
InChI=1S/C6H9NO/c7-4-5-1-2-6(8)3-5/h5-6,8H,1-3H2
InChIKey
CBYFMEDJHNTXQX-UHFFFAOYSA-N
Compound name
3-hydroxycyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

111.06841 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.075686 121.9
[M+Na]+ 134.057628 131.3
[M-H]- 110.061134 124.1
[M+NH4]+ 129.102233 143.5
[M+K]+ 150.031568 128.9
[M+H-H2O]+ 94.065670 110.8
[M+HCOO]- 156.066611 140.6
[M+CH3COO]- 170.082261 178.8
[M+Na-2H]- 132.043076 126.4
[M]+ 111.06786142 113.9
[M]- 111.06895858 113.9
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