CID 199802

N-(1-cyanocyclopentyl)acetamide

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC(=O)NC1(CCCC1)C#N
InChI
InChI=1S/C8H12N2O/c1-7(11)10-8(6-9)4-2-3-5-8/h2-5H2,1H3,(H,10,11)
InChIKey
CIKRIBWMWUAUPO-UHFFFAOYSA-N
Compound name
N-(1-cyanocyclopentyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

152.09496 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 135.1
[M+Na]+ 175.084178 143.6
[M-H]- 151.087684 138.3
[M+NH4]+ 170.128783 157.0
[M+K]+ 191.058118 140.9
[M+H-H2O]+ 135.092220 123.7
[M+HCOO]- 197.093161 154.7
[M+CH3COO]- 211.108811 188.9
[M+Na-2H]- 173.069626 139.6
[M]+ 152.09441142 127.4
[M]- 152.09550858 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

patents stripe