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

1
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

patents stripe