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]+ 221.089626 140.7
[M+Na]+ 243.071568 149.4
[M-H]- 219.075074 138.8
[M+NH4]+ 238.116173 157.6
[M+K]+ 259.045508 146.8
[M+H-H2O]+ 203.079610 126.7
[M+HCOO]- 265.080551 151.9
[M+CH3COO]- 279.096201 197.9
[M+Na-2H]- 241.057016 144.4
[M]+ 220.08180142 129.0
[M]- 220.08289858 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.