CID 117273381

1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine

Structural Information

Molecular Formula
C9H17F3N2
SMILES
CC(C)(CN1CCNCC1)C(F)(F)F
InChI
InChI=1S/C9H17F3N2/c1-8(2,9(10,11)12)7-14-5-3-13-4-6-14/h13H,3-7H2,1-2H3
InChIKey
BCZMNPSBCGJARB-UHFFFAOYSA-N
Compound name
1-(3,3,3-trifluoro-2,2-dimethylpropyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

210.13438 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14166 148.3
[M+Na]+ 233.12360 153.3
[M-H]- 209.12710 142.8
[M+NH4]+ 228.16820 163.5
[M+K]+ 249.09754 150.5
[M+H-H2O]+ 193.13164 139.3
[M+HCOO]- 255.13258 157.9
[M+CH3COO]- 269.14823 183.6
[M+Na-2H]- 231.10905 152.5
[M]+ 210.13383 138.3
[M]- 210.13493 138.3
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