CID 65815519

4-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol

Structural Information

Molecular Formula
C11H14F3NO
SMILES
C1=CC(=CC=C1C(CCO)CN)C(F)(F)F
InChI
InChI=1S/C11H14F3NO/c12-11(13,14)10-3-1-8(2-4-10)9(7-15)5-6-16/h1-4,9,16H,5-7,15H2
InChIKey
PETOTKQNMZNSBN-UHFFFAOYSA-N
Compound name
4-amino-3-[4-(trifluoromethyl)phenyl]butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

233.10275 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11003 153.1
[M+Na]+ 256.09197 160.3
[M+NH4]+ 251.13657 158.0
[M+K]+ 272.06591 155.7
[M-H]- 232.09547 149.8
[M+Na-2H]- 254.07742 156.0
[M]+ 233.10220 152.8
[M]- 233.10330 152.8
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