CID 12478719

2-hydroxycyclopentane-1-carbonitrile

Structural Information

Molecular Formula
C6H9NO
SMILES
C1CC(C(C1)O)C#N
InChI
InChI=1S/C6H9NO/c7-4-5-2-1-3-6(5)8/h5-6,8H,1-3H2
InChIKey
LXEPXMXJJFJNOU-UHFFFAOYSA-N
Compound name
2-hydroxycyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

25
Patents

111.06841 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.07569 121.9
[M+Na]+ 134.05763 131.3
[M-H]- 110.06113 124.1
[M+NH4]+ 129.10223 143.5
[M+K]+ 150.03157 128.9
[M+H-H2O]+ 94.065670 110.8
[M+HCOO]- 156.06661 140.6
[M+CH3COO]- 170.08226 178.8
[M+Na-2H]- 132.04308 126.4
[M]+ 111.06786 113.9
[M]- 111.06896 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