CID 62370721

1250820-34-8

Structural Information

Molecular Formula
C9H17F3N2
SMILES
CCN(CC1CCNC1)CC(F)(F)F
InChI
InChI=1S/C9H17F3N2/c1-2-14(7-9(10,11)12)6-8-3-4-13-5-8/h8,13H,2-7H2,1H3
InChIKey
YXBLQSNCJULLNT-UHFFFAOYSA-N
Compound name
N-ethyl-2,2,2-trifluoro-N-(pyrrolidin-3-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.13438 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.14166 146.3
[M+Na]+ 233.12360 150.9
[M-H]- 209.12710 143.6
[M+NH4]+ 228.16820 164.9
[M+K]+ 249.09754 149.2
[M+H-H2O]+ 193.13164 137.1
[M+HCOO]- 255.13258 162.5
[M+CH3COO]- 269.14823 188.4
[M+Na-2H]- 231.10905 148.1
[M]+ 210.13383 138.9
[M]- 210.13493 138.9
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.