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]+ 153.102236 130.5
[M+Na]+ 175.084178 138.4
[M-H]- 151.087684 132.1
[M+NH4]+ 170.128783 148.3
[M+K]+ 191.058118 136.7
[M+H-H2O]+ 135.092220 117.9
[M+HCOO]- 197.093161 146.2
[M+CH3COO]- 211.108811 188.5
[M+Na-2H]- 173.069626 134.6
[M]+ 152.09441142 122.1
[M]- 152.09550858 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