CID 56687189

1-(hydroxymethyl)cyclopentanecarbonitrile

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CCC(C1)(CO)C#N
InChI
InChI=1S/C7H11NO/c8-5-7(6-9)3-1-2-4-7/h9H,1-4,6H2
InChIKey
XIONVAIUILQBNZ-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)cyclopentane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

125.08406 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 126.2
[M+Na]+ 148.07328 135.4
[M+NH4]+ 143.11788 132.7
[M+K]+ 164.04722 126.9
[M-H]- 124.07678 119.9
[M+Na-2H]- 146.05873 129.7
[M]+ 125.08351 124.8
[M]- 125.08461 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

patents stripe