CID 64443558

1-acetylpiperidine-3-carbonitrile

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC(=O)N1CCCC(C1)C#N
InChI
InChI=1S/C8H12N2O/c1-7(11)10-4-2-3-8(5-9)6-10/h8H,2-4,6H2,1H3
InChIKey
MPXRPMCOUTYVJD-UHFFFAOYSA-N
Compound name
1-acetylpiperidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

152.09496 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 130.5
[M+Na]+ 175.08418 138.4
[M-H]- 151.08768 132.1
[M+NH4]+ 170.12878 148.3
[M+K]+ 191.05812 136.7
[M+H-H2O]+ 135.09222 117.9
[M+HCOO]- 197.09316 146.2
[M+CH3COO]- 211.10881 188.5
[M+Na-2H]- 173.06963 134.6
[M]+ 152.09441 122.1
[M]- 152.09551 122.1
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