CID 43184303

3-amino-2-{[4-(trifluoromethyl)phenyl]methyl}propan-1-ol

Structural Information

Molecular Formula
C11H14F3NO
SMILES
C1=CC(=CC=C1CC(CN)CO)C(F)(F)F
InChI
InChI=1S/C11H14F3NO/c12-11(13,14)10-3-1-8(2-4-10)5-9(6-15)7-16/h1-4,9,16H,5-7,15H2
InChIKey
HYJBAQRUUJIMAS-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-3-[4-(trifluoromethyl)phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.10275 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11003 149.7
[M+Na]+ 256.09197 156.2
[M-H]- 232.09547 147.3
[M+NH4]+ 251.13657 166.4
[M+K]+ 272.06591 152.6
[M+H-H2O]+ 216.10001 141.3
[M+HCOO]- 278.10095 166.9
[M+CH3COO]- 292.11660 190.9
[M+Na-2H]- 254.07742 152.4
[M]+ 233.10220 143.6
[M]- 233.10330 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.