CID 71758684

4-methyl-1-(trifluoroacetyl)piperidine-4-carbonitrile

Structural Information

Molecular Formula
C9H11F3N2O
SMILES
CC1(CCN(CC1)C(=O)C(F)(F)F)C#N
InChI
InChI=1S/C9H11F3N2O/c1-8(6-13)2-4-14(5-3-8)7(15)9(10,11)12/h2-5H2,1H3
InChIKey
CKQSHCVYYSOXDP-UHFFFAOYSA-N
Compound name
4-methyl-1-(2,2,2-trifluoroacetyl)piperidine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.08235 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.08963 140.7
[M+Na]+ 243.07157 149.4
[M-H]- 219.07507 138.8
[M+NH4]+ 238.11617 157.6
[M+K]+ 259.04551 146.8
[M+H-H2O]+ 203.07961 126.7
[M+HCOO]- 265.08055 151.9
[M+CH3COO]- 279.09620 197.9
[M+Na-2H]- 241.05702 144.4
[M]+ 220.08180 129.0
[M]- 220.08290 129.0
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.