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

8
Patents

152.09496 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 135.1
[M+Na]+ 175.08418 143.6
[M-H]- 151.08768 138.3
[M+NH4]+ 170.12878 157.0
[M+K]+ 191.05812 140.9
[M+H-H2O]+ 135.09222 123.7
[M+HCOO]- 197.09316 154.7
[M+CH3COO]- 211.10881 188.9
[M+Na-2H]- 173.06963 139.6
[M]+ 152.09441 127.4
[M]- 152.09551 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