CID 71695547

2,2,2-trifluoro-1-(1-methyl-1h-pyrrol-3-yl)ethan-1-amine

Structural Information

Molecular Formula
C7H9F3N2
SMILES
CN1C=CC(=C1)C(C(F)(F)F)N
InChI
InChI=1S/C7H9F3N2/c1-12-3-2-5(4-12)6(11)7(8,9)10/h2-4,6H,11H2,1H3
InChIKey
MSPULTAKLZFDHL-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(1-methylpyrrol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.07178 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.07906 133.0
[M+Na]+ 201.06100 141.6
[M-H]- 177.06450 131.4
[M+NH4]+ 196.10560 153.2
[M+K]+ 217.03494 139.6
[M+H-H2O]+ 161.06904 124.7
[M+HCOO]- 223.06998 152.3
[M+CH3COO]- 237.08563 182.1
[M+Na-2H]- 199.04645 136.3
[M]+ 178.07123 127.2
[M]- 178.07233 127.2
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.