CID 457578

90389-85-8

Structural Information

Molecular Formula
C9H12FN
SMILES
CCNCC1=CC(=CC=C1)F
InChI
InChI=1S/C9H12FN/c1-2-11-7-8-4-3-5-9(10)6-8/h3-6,11H,2,7H2,1H3
InChIKey
QAPAPLIQQTVEJZ-UHFFFAOYSA-N
Compound name
N-[(3-fluorophenyl)methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1373
Patents

153.09538 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10266 131.4
[M+Na]+ 176.08460 143.5
[M+NH4]+ 171.12920 140.3
[M+K]+ 192.05854 136.1
[M-H]- 152.08810 133.6
[M+Na-2H]- 174.07005 138.9
[M]+ 153.09483 133.7
[M]- 153.09593 133.7
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