CID 23468082

2-(1-hydroxycyclopentyl)acetonitrile

Structural Information

Molecular Formula
C7H11NO
SMILES
C1CCC(C1)(CC#N)O
InChI
InChI=1S/C7H11NO/c8-6-5-7(9)3-1-2-4-7/h9H,1-5H2
InChIKey
LGZCCERSJXVXMD-UHFFFAOYSA-N
Compound name
2-(1-hydroxycyclopentyl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

125.08406 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 126.7
[M+Na]+ 148.07328 136.1
[M-H]- 124.07678 128.9
[M+NH4]+ 143.11788 149.4
[M+K]+ 164.04722 132.8
[M+H-H2O]+ 108.08132 116.1
[M+HCOO]- 170.08226 145.3
[M+CH3COO]- 184.09791 180.1
[M+Na-2H]- 146.05873 132.4
[M]+ 125.08351 119.1
[M]- 125.08461 119.1
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