CID 3056670

1-cyanocyclopentyl acetate

Structural Information

Molecular Formula
C8H11NO2
SMILES
CC(=O)OC1(CCCC1)C#N
InChI
InChI=1S/C8H11NO2/c1-7(10)11-8(6-9)4-2-3-5-8/h2-5H2,1H3
InChIKey
AZKPIKSWYJXJTB-UHFFFAOYSA-N
Compound name
(1-cyanocyclopentyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.07898 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.086256 133.0
[M+Na]+ 176.068198 142.5
[M-H]- 152.071704 136.5
[M+NH4]+ 171.112803 155.3
[M+K]+ 192.042138 140.0
[M+H-H2O]+ 136.076240 122.1
[M+HCOO]- 198.077181 152.1
[M+CH3COO]- 212.092831 186.3
[M+Na-2H]- 174.053646 137.5
[M]+ 153.07843142 127.4
[M]- 153.07952858 127.4
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

No patent data available for this compound.